Cas no 85840-23-9 (2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile)

2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile structure
85840-23-9 structure
Product Name:2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
CAS No:85840-23-9
MF:C5H3ClN4O
MW:170.556518793106
CID:1032589
PubChem ID:135604869
Update Time:2025-04-20

2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
    • 2-amino-6-chloro-4-oxo-1H-pyrimidine-5-carbonitrile
    • 2-amino-4-chloro-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
    • MFCD20700609
    • SCHEMBL6441238
    • MCXNJBLPLAZMEY-UHFFFAOYSA-N
    • 2-AMINO-4-CHLORO-6-OXO-1H-PYRIMIDINE-5-CARBONITRILE
    • 2-Amino-6-chloro-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
    • D82584
    • SB57661
    • DTXSID10517790
    • CS-0150048
    • 85840-23-9
    • BS-49746
    • Inchi: 1S/C5H3ClN4O/c6-3-2(1-7)4(11)10-5(8)9-3/h(H3,8,9,10,11)
    • InChI Key: MCXNJBLPLAZMEY-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C(NC(N)=N1)=O

Computed Properties

  • Exact Mass: 169.9995384g/mol
  • Monoisotopic Mass: 169.9995384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 321
  • 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: -0.5
  • Topological Polar Surface Area: 91.3?2

2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile Pricemore >>

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