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4-chloro-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Structure

Skeletal structure of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1)
Auto-imported from PubChem CID 5356682 via T0 sync core

Identifiers

CAS: 3680-69-1
IUPAC name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Formula: C6H4ClN3
MW: 153.57 g/mol

Structural identifiers

SMILES: C1=CNC2=C1C(=NC=N2)Cl
InChIKey: BPTCCCTWWAUJRK-UHFFFAOYSA-N
InChI: InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)

Specifications

Commercial

Inventory: to order

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Physical & chemical properties

Computed descriptors aggregated from PubChem for CAS 3680-69-1.

XLogP 1.6
Complexity 130
Exact mass 153.0093748 g/mol
Formal charge 0
Heavy atom count 10
Monoisotopic mass 153.0093748 g/mol
H-bond donor count 1
Rotatable bond count 0
H-bond acceptor count 2
Topological polar surface area (TPSA) 41.6 Ų

China regulatory compliance

Not listed in hazardous / restricted catalogues
China MEM Hazardous Chemicals Catalogue (2015) — Joint Announcement No.5/2015 ↗

Sourcing & suppliers — 4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Grounded in ChemExact's verified supplier and document records. Sourcing questions are answered with ChemExact's own network — not third-party marketplaces.

Who supplies 4-chloro-7H-pyrrolo[2,3-d]pyrimidine in China?
No verified supplier has signed for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1) yet — it's in ChemExact's inquiry pool. Submit a request and our team returns 3+ comparative quotes within 48–72h, each with a COA and batch traceability.
Which suppliers provide a COA or analysis report for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
A batch-specific Certificate of Analysis ships with every 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1) order. Request the latest COA through ChemExact — every quote includes a COA and batch traceability.

Frequently asked questions

Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.

What is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1)?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine is a chemical compound with molecular formula C6H4ClN3 and molecular weight ≈ 153.57 g/mol. Its CAS Registry Number is 3680-69-1.
What chemical does CAS 3680-69-1 refer to?
CAS Registry Number 3680-69-1 refers to 4-chloro-7H-pyrrolo[2,3-d]pyrimidine, molecular formula C6H4ClN3, molecular weight ≈ 153.57 g/mol. The CAS number is verifiable on PubChem, CAS Common Chemistry and ECHA. To source 4-chloro-7H-pyrrolo[2,3-d]pyrimidine, submit an RFQ on this page to be matched with ChemExact's verified supplier network, with batch COAs.
What is the molecular formula and weight of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1)?
The molecular formula of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine is C6H4ClN3, and the molecular weight is 153.57 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine is `C1=CNC2=C1C(=NC=N2)Cl`, and the InChIKey is `BPTCCCTWWAUJRK-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
Common synonyms of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine include: 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine, 3680-69-1, 4-Chloropyrrolo[2,3-d]pyrimidine, 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine, 4-Chloropyrrolo(2,3-d)pyrimidine, 7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-, 9VV5MK5RX3, NSC 64952 — 20 synonyms in total. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current price of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1)?
ChemExact does not publish public price lists for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine. No verified supplier has linked this SKU yet — submit an RFQ below and our BD team will return 3+ comparative quotes within 48–72 hours, each with batch traceability and a COA. For background market context only (non-binding), industry bulletins such as ICIS or national commodity indices may be consulted independently.
How has 4-chloro-7H-pyrrolo[2,3-d]pyrimidine price trended recently?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine pricing follows upstream feedstocks, export demand, and plant turnaround cycles. ChemExact does not quote spot indices on this page. For a procurement decision, submit an RFQ — suppliers respond with current lot pricing and lead time. Independent market bulletins (ICIS, national commodity indices) may be used only as non-binding background reference.
Who are the major manufacturers of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine in China?
China-based manufacturers of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1) are matched on demand by the ChemExact business team. Submit an RFQ or contact bd@chemexact.com — a BD advisor will shortlist candidates from regulated directories (e.g. China MEM hazardous-chemicals registration at https://whpdj.mem.gov.cn/) with full provenance on each dossier. Supplier discovery is handled through ChemExact's verified network, not third-party marketplaces.
Which suppliers in East / North / South China stock 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
Regional supply of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1) is matched on demand through ChemExact's own verified network. Submit an RFQ stating your target region (East / North / South China), or reach the ChemExact business team at bd@chemexact.com — a BD advisor will match verified producers from regulated enterprise registries and return comparable quotes with COAs. When ChemExact's geo-browse directory is enabled, city-level supplier pages list credentials and last review dates.
Who are the largest global producers of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
International supply of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1) is arranged by the ChemExact business team based on export credentials. Submit an RFQ or contact bd@chemexact.com — a BD advisor will match qualified exporters and return batch COAs, trade terms, and Incoterms. For regulatory due diligence, consult ECHA REACH (CAS 3680-69-1), US EPA CompTox, or Japan NITE — these are compliance references, not procurement marketplaces.
What grades of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine are commercially available?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy). Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files on their brand product pages.
Where can I download the SDS / MSDS for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/5356682; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on verified ChemExact brand pages. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.

Related research papers

Open-access publications referencing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS 3680-69-1), sourced from OpenAlex.

International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and Classification of Adenosine Receptors—An Update

2011 · Bertil B. Fredholm, Adriaan P. IJzerman, Kenneth A. Jacobson · 1289 citations

Recent developments in solvent-free multicomponent reactions: a perfect synergy for eco-compatible organic synthesis

2012 · Maya Shankar Singh, Sushobhan Chowdhury · 503 citations

Akt inhibitors in cancer treatment: The long journey from drug discovery to clinical use (Review)

2015 · George Mihai Nițulescu, Denisa Margină, Petras Juzenas · 363 citations

Adenosine Kinase: Exploitation for Therapeutic Gain

2013 · Detlev Boison · 316 citations

Pyrrolidine in Drug Discovery: A Versatile Scaffold for Novel Biologically Active Compounds

2021 · Giovanna Li Petri, Maria Valeria Raimondi, Virginia Spanò · 252 citations

An Unbiased Cell Morphology–Based Screen for New, Biologically Active Small Molecules

2005 · Masahiro Tanaka, Raynard L. Bateman, Daniel Rauh · 233 citations

Authoritative external references

Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.

Content & data statement. Commercial information on this page (CAS, HS, EC, purity grade, indicative price band, lead time, inventory status, REACH and FDA flags) is captured from supplier-controlled documents by the ChemExact editorial desk and reviewed on a recurring cycle. Chemistry data — structures, synonyms, physico-chemical properties, hazard classifications and the cited literature — is reconciled against internationally recognised authorities (including but not limited to PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.

Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.

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