Cas no 2241865-68-7 (4-bromo-2-(methyl-d3)pyrimidine-5,6-d2)

4-bromo-2-(methyl-d3)pyrimidine-5,6-d2 structure
2241865-68-7 structure
Product Name:4-bromo-2-(methyl-d3)pyrimidine-5,6-d2
CAS No:2241865-68-7
MF:C5H5BrN2
MW:178.0414083004
CID:6826526
PubChem ID:172406681
Update Time:2025-03-03

4-bromo-2-(methyl-d3)pyrimidine-5,6-d2 Chemical and Physical Properties

Names and Identifiers

    • 2241865-68-7
    • 4-bromo-2-(methyl-d3)pyrimidine-5,6-d2
    • CS-24693
    • Inchi: 1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3/i1D3,2D,3D
    • InChI Key: OJPQVYZLQGRFSO-RHIBPKLGSA-N
    • SMILES: BrC1=C([2H])C([2H])=NC(C([2H])([2H])[2H])=N1

Computed Properties

  • Exact Mass: 176.99499Da
  • Monoisotopic Mass: 176.99499Da
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 76.8
  • 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: 1.6
  • Topological Polar Surface Area: 25.8?2

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