Cas no 1016241-64-7 (7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid)

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is a heterocyclic compound featuring a fused pyrrolo[2,3-d]pyrimidine core with a carboxylic acid functional group at the 6-position. This structure serves as a versatile intermediate in medicinal chemistry, particularly in the synthesis of nucleoside analogs and kinase inhibitors. Its rigid bicyclic scaffold enhances binding affinity in target interactions, while the carboxylic acid moiety allows for further derivatization, enabling the development of prodrugs or conjugates. The compound exhibits high purity and stability, making it suitable for research in drug discovery and biochemical applications. Its synthetic utility and structural specificity contribute to its relevance in designing biologically active molecules.
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid structure
1016241-64-7 structure
Product Name:7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CAS No:1016241-64-7
MF:C7H5N3O2
MW:163.133500814438
MDL:MFCD11518909
CID:824048
PubChem ID:45790058
Update Time:2025-06-07

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
    • 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
    • 7H-pyrrolo[2,3-d]pyriMidin-6-carboxylic acid
    • DB-058622
    • CS-0050019
    • P11142
    • W-204418
    • DTXSID00672201
    • 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylicacid
    • 7H-Pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid
    • 7h-pyrrolo-[2,3-d]pyrimidine-6-carboxylic
    • 1016241-64-7
    • AKOS006325573
    • EN300-3029803
    • SCHEMBL2995033
    • SB10428
    • SY039664
    • J-519263
    • MFCD11518909
    • AS-50801
    • MDL： MFCD11518909
    • Inchi： 1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,11,12)(H,8,9,10)
    • InChI Key： HHZKYTGSMOMGOQ-UHFFFAOYSA-N
    • SMILES： OC(C1=CC2=CN=CN=C2N1)=O

Computed Properties

  • Exact Mass: 163.03800
  • Monoisotopic Mass: 163.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • Density: 1.617
  • Boiling Point: 446.8±25.0 °C at 760 mmHg
  • Flash Point: 224.0±23.2 °C
  • PSA: 78.87000
  • LogP: 0.65610
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Security Information

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Pricemore >>

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