Cas no 454685-88-2 (7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile)

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure
454685-88-2 structure
Product Name:7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CAS No:454685-88-2
MF:C7H4N4
MW:144.133460044861
MDL:MFCD22370020
CID:876599
PubChem ID:22605269
Update Time:2025-04-19

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    • GDYUNCUMRKXRHY-UHFFFAOYSA-N
    • P13108
    • SCHEMBL5260963
    • 454685-88-2
    • SY292498
    • CS-0054374
    • MFCD22370020
    • 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile (9CI)
    • PS-16786
    • 5-cyanopyrrolo[2,3-d]pyrimidine
    • DTXSID70626837
    • DB-087172
    • SB14058
    • MDL: MFCD22370020
    • Inchi: 1S/C7H4N4/c8-1-5-2-10-7-6(5)3-9-4-11-7/h2-4H,(H,9,10,11)
    • InChI Key: GDYUNCUMRKXRHY-UHFFFAOYSA-N
    • SMILES: N1C=C(C#N)C2=CN=CN=C12

Computed Properties

  • Exact Mass: 144.043596145g/mol
  • Monoisotopic Mass: 144.043596145g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 194
  • 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: 0.4
  • Topological Polar Surface Area: 65.4?2

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile Pricemore >>

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