Cas no 3059-67-4 (N-methylpyrimidine-4,5-diamine)

N-methylpyrimidine-4,5-diamine structure
3059-67-4 structure
Product Name:N-methylpyrimidine-4,5-diamine
CAS No:3059-67-4
MF:C5H8N4
MW:124.14381980896
CID:321475
PubChem ID:264340
Update Time:2025-04-19

N-methylpyrimidine-4,5-diamine Chemical and Physical Properties

Names and Identifiers

    • N-methylpyrimidine-4,5-diamine
    • (4-aminopyrimidin-5-yl)-methyl-amine
    • 4,5-Pyrimidinediamine, N5-methyl- (9CI)
    • 5-N-methylpyrimidine-4,5-diamine
    • N5-Methyl-pyrimidin-4,5-diyldiamin
    • N5-methylpyrimidine-4,5-diamine
    • N5-methyl-pyrimidine-4,5-diamine
    • N5-methyl-pyrimidine-4,5-diyldiamine
    • AKOS006338525
    • 6-Imino-N-methyl-1,6-dihydropyrimidin-5-amine
    • 3059-67-4
    • DTXSID40952872
    • NSC-99399
    • NSC99399
    • SCHEMBL1745024
    • Inchi: 1S/C5H8N4/c1-7-4-2-8-3-9-5(4)6/h2-3,7H,1H3,(H2,6,8,9)
    • InChI Key: XVKFIARTOSQEIY-UHFFFAOYSA-N
    • SMILES: N(C)C1=CN=CN=C1N

Computed Properties

  • Exact Mass: 124.07504
  • Monoisotopic Mass: 124.074896272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 85
  • 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: -0.2
  • Topological Polar Surface Area: 63.8?2

Experimental Properties

  • PSA: 63.83
  • LogP: 0.75470
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