Cas no 2259315-74-5 (4-chloro-6-(methoxy-d3)pyrimidine-2,5-d2)

4-chloro-6-(methoxy-d3)pyrimidine-2,5-d2 structure
2259315-74-5 structure
Product Name:4-chloro-6-(methoxy-d3)pyrimidine-2,5-d2
CAS No:2259315-74-5
MF:C5H5ClN2O
MW:149.589808225632
CID:6820415
PubChem ID:172402449
Update Time:2025-03-01

4-chloro-6-(methoxy-d3)pyrimidine-2,5-d2 Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-6-(methoxy-d3)pyrimidine-2,5-d2
    • 2259315-74-5
    • CS-22074
    • Inchi: 1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3/i1D3,2D,3D
    • InChI Key: KLJGSQVYUGQOAW-RHIBPKLGSA-N
    • SMILES: ClC1=C([2H])C(=NC([2H])=N1)OC([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 149.0404242Da
  • Monoisotopic Mass: 149.0404242Da
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 91
  • 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: 35?2
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