Cas no 28806-14-6 (2,4(1H,3H)-Pyrimidinedione,5-methyl-, dimer)

2,4(1H,3H)-Pyrimidinedione,5-methyl-, dimer structure
28806-14-6 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-methyl-, dimer
CAS No:28806-14-6
MF:C10H12N4O4
MW:252.22668170929
CID:289514
PubChem ID:160169
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,5-methyl-, dimer Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,5-methyl-, dimer
    • 5-methyl-1H-pyrimidine-2,4-dione
    • 28806-14-6
    • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
    • Cyclobuta-dithymidine
    • SCHEMBL750450
    • Inchi: 1S/2C5H6N2O2/c2*1-3-2-6-5(9)7-4(3)8/h2*2H,1H3,(H2,6,7,8,9)
    • InChI Key: AFBXRHFIVUFPES-UHFFFAOYSA-N
    • SMILES: O=C1C(C)=CNC(N1)=O.O=C1C(C)=CNC(N1)=O

Computed Properties

  • Exact Mass: 252.08596
  • Monoisotopic Mass: 252.08585488g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 195
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • PSA: 124.44
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