Cas no 905581-06-8 (5-ethyl-7H-Pyrrolo[2,3-d]pyrimidine)

5-ethyl-7H-Pyrrolo[2,3-d]pyrimidine structure
905581-06-8 structure
Product Name:5-ethyl-7H-Pyrrolo[2,3-d]pyrimidine
CAS No:905581-06-8
MF:C8H9N3
MW:147.177160978317
CID:1120963
PubChem ID:55298736
Update Time:2025-04-20

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

Names and Identifiers

    • 5-ethyl-7H-Pyrrolo[2,3-d]pyrimidine
    • YNNMZEFRJKNDNH-UHFFFAOYSA-N
    • 905581-06-8
    • SCHEMBL1797434
    • AKOS006375743
    • Inchi: 1S/C8H9N3/c1-2-6-3-10-8-7(6)4-9-5-11-8/h3-5H,2H2,1H3,(H,9,10,11)
    • InChI Key: YNNMZEFRJKNDNH-UHFFFAOYSA-N
    • SMILES: N1C=C(CC)C2=CN=CN=C12

Computed Properties

  • Exact Mass: 147.079647300g/mol
  • Monoisotopic Mass: 147.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 137
  • 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: 1.5
  • Topological Polar Surface Area: 41.6?2
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