Cas no 876516-52-8 (5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-)

5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)- structure
876516-52-8 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-
CAS No:876516-52-8
MF:C8H12N4O2
MW:196.206480979919
CID:709966
PubChem ID:23130780
Update Time:2025-04-19

5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)- Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-
    • 4-amino-2-(propylamino)pyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylic acid, 4-amino-2-(propylamino)- (9CI)
    • 876516-52-8
    • SCHEMBL1680472
    • DTXSID70630858
    • 4-amino-2-(propylamino)pyrimidine-5-carboxylicacid
    • Inchi: 1S/C8H12N4O2/c1-2-3-10-8-11-4-5(7(13)14)6(9)12-8/h4H,2-3H2,1H3,(H,13,14)(H3,9,10,11,12)
    • InChI Key: PYXQZZMXKMRDGE-UHFFFAOYSA-N
    • SMILES: OC(C1C=NC(=NC=1N)NCCC)=O

Computed Properties

  • Exact Mass: 196.09602564g/mol
  • Monoisotopic Mass: 196.09602564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 200
  • 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
  • Surface Charge: 0
  • Tautomer Count: 12
  • XLogP3: 1.1
  • Topological Polar Surface Area: 101?2
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