Cas no 374706-53-3 (9H-Purine-6,8-diamine,N6-methyl-)

9H-Purine-6,8-diamine,N6-methyl- structure
374706-53-3 structure
Product Name:9H-Purine-6,8-diamine,N6-methyl-
CAS No:374706-53-3
MF:C6H8N6
MW:164.167919158936
CID:298024
PubChem ID:45120986
Update Time:2025-04-19

9H-Purine-6,8-diamine,N6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine-6,8-diamine,N6-methyl-
    • 1H-Purine-6,8-diamine,N6-methyl- (9CI)
    • N6-methyl-1H-purine-6,8-diamine
    • 374706-53-3
    • Inchi: 1S/C6H8N6/c1-8-4-3-5(10-2-9-4)12-6(7)11-3/h2H,1H3,(H4,7,8,9,10,11,12)
    • InChI Key: CTLQNHIQSKIXLY-UHFFFAOYSA-N
    • SMILES: N1C(N)=NC2=C1C(=NC=N2)NC

Computed Properties

  • Exact Mass: 164.08104428g/mol
  • Monoisotopic Mass: 164.08104428g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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: 0.1
  • Topological Polar Surface Area: 92.5?2
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