Cas no 26639-92-9 (Furo[3,4-d]pyrimidin-7(5H)-one)

Furo[3,4-d]pyrimidin-7(5H)-one structure
26639-92-9 structure
Product Name:Furo[3,4-d]pyrimidin-7(5H)-one
CAS No:26639-92-9
MF:C6H4N2O2
MW:136.108160972595
CID:249882
PubChem ID:45080408
Update Time:2025-04-19

Furo[3,4-d]pyrimidin-7(5H)-one Chemical and Physical Properties

Names and Identifiers

    • Furo[3,4-d]pyrimidin-7(5H)-one
    • 4-Pyrimidinecarboxylicacid, 5-(hydroxymethyl)-, g-lactone
    • 5H-furo[3,4-d]pyrimidin-7-one
    • Furo[3,4-d]pyrimidin-7(5H)-one (9CI)
    • SCHEMBL1610662
    • 26639-92-9
    • 5H-furo[3, 4-d]pyrimidin-7-one
    • DTXSID50663967
    • Inchi: 1S/C6H4N2O2/c9-6-5-4(2-10-6)1-7-3-8-5/h1,3H,2H2
    • InChI Key: QPATTWPOLGLVAZ-UHFFFAOYSA-N
    • SMILES: O1C(C2=C(C=NC=N2)C1)=O

Computed Properties

  • Exact Mass: 136.02732
  • Monoisotopic Mass: 136.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 52.1A^2
  • XLogP3: 0

Experimental Properties

  • PSA: 52.08
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