Cas no 773010-63-2 (4-Pyrimidinecarboxylicacid, 2-amino-3,6-dihydro-)

4-Pyrimidinecarboxylicacid, 2-amino-3,6-dihydro- structure
773010-63-2 structure
Product Name:4-Pyrimidinecarboxylicacid, 2-amino-3,6-dihydro-
CAS No:773010-63-2
MF:C5H7N3O2
MW:141.127980470657
CID:551814
PubChem ID:13154369
Update Time:2025-04-19

4-Pyrimidinecarboxylicacid, 2-amino-3,6-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinecarboxylicacid, 2-amino-3,6-dihydro-
    • 4-Pyrimidinecarboxylicacid, 2-amino-1,6-dihydro- (9CI)
    • 2-amino-1,4-dihydropyrimidine-6-carboxylic acid
    • 2-Amino-1,6-dihydropyrimidine-4-carboxylic acid
    • 773010-63-2
    • DTXSID70522683
    • 2-Amino-1,6-dihydropyrimidine-4-carboxylicacid
    • 2-Amino-3,6-dihydropyrimidine-4-carboxylic acid
    • Inchi: 1S/C5H7N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)
    • InChI Key: JGOZCSIBOJZBAN-UHFFFAOYSA-N
    • SMILES: OC(C1=CCN=C(N)N1)=O

Computed Properties

  • Exact Mass: 141.05391
  • Monoisotopic Mass: 141.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 219
  • 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: -1.2
  • Topological Polar Surface Area: 87.7?2

Experimental Properties

  • PSA: 87.71
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