Cas no 36998-65-9 (4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-)

4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo- structure
36998-65-9 structure
Product Name:4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-
CAS No:36998-65-9
MF:C6H7N3O2S
MW:185.203679323196
CID:322629
PubChem ID:135416990
Update Time:2025-04-19

4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinecarboxamide,1,6-dihydro-2-(methylthio)-6-oxo-
    • 2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxamide
    • 2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid amide
    • 2-Methylthioorotsaeureamid
    • 6-Hydroxy-2-methylthiopyrimidin-4-carboxamid
    • AC1L8A11
    • CCG-44651
    • HMS1445K19
    • IDI1_016554
    • Maybridge3_005167
    • NSC288388
    • NSC-288388
    • 6-Hydroxy-2-(methylthio)pyrimidine-4-carboxamide
    • AKOS006237839
    • 2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
    • SR-01000634472-1
    • 36998-65-9
    • DTXSID60314771
    • Inchi: 1S/C6H7N3O2S/c1-12-6-8-3(5(7)11)2-4(10)9-6/h2H,1H3,(H2,7,11)(H,8,9,10)
    • InChI Key: MQSSLXZDMDJZTR-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC(C(N)=O)=CC(N1)=O

Computed Properties

  • Exact Mass: 185.02601
  • Monoisotopic Mass: 185.02589765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 295
  • 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: -0.7
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 84.55
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