Cas no 2222933-94-8 (pyrimidin-2,4-d2-5-ol)

pyrimidin-2,4-d2-5-ol structure
pyrimidin-2,4-d2-5-ol structure
Product Name:pyrimidin-2,4-d2-5-ol
CAS No:2222933-94-8
MF:C4H4N2O
MW:98.0996837615967
CID:6821078
PubChem ID:164662527
Update Time:2025-03-04

pyrimidin-2,4-d2-5-ol Chemical and Physical Properties

Names and Identifiers

    • CS-19736
    • pyrimidin-2,4-d2-5-ol
    • 2222933-94-8
    • Inchi: 1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H/i1D,3D
    • InChI Key: LTXJLQINBYSQFU-SDTNDFKLSA-N
    • SMILES: OC1=CN=C([2H])N=C1[2H]

Computed Properties

  • Exact Mass: 98.044916247Da
  • Monoisotopic Mass: 98.044916247Da
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 51.7
  • 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: 46?2
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