Cas no 5770-10-5 (2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(methylamino)-5-nitroso-)

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(methylamino)-5-nitroso- structure
5770-10-5 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(methylamino)-5-nitroso-
CAS No:5770-10-5
MF:C7H10N4O3
MW:198.179300785065
CID:344522
PubChem ID:71444011
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(methylamino)-5-nitroso- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(methylamino)-5-nitroso-
    • 1,3-Dimethyl-6-(methylamino)-5-nitrosopyrimidine-2,4(1H,3H)-dione
    • DTXSID30852812
    • 5770-10-5
    • Inchi: 1S/C7H10N4O3/c1-8-5-4(9-14)6(12)11(3)7(13)10(5)2/h8H,1-3H3
    • InChI Key: OLLXTQPNJDKXHS-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C(C(=C(NC)N1C)N=O)=O

Computed Properties

  • Exact Mass: 198.0754
  • Monoisotopic Mass: 198.07529019g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 336
  • 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: -0.3
  • Topological Polar Surface Area: 82.1?2

Experimental Properties

  • PSA: 82.08
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