Cas no 68163-26-8 (2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide)

2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide structure
68163-26-8 structure
Product Name:2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide
CAS No:68163-26-8
MF:C12H19N5O
MW:249.312161684036
CID:393620
PubChem ID:20384862
Update Time:2025-04-19

2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pyrimidinediamine, 6-(3-azabicyclo[3.2.2]non-3-yl)-, 3-oxide
    • 6-(3-azabicyclo[3.2.2]nonan-3-yl)-3-hydroxy-2-iminopyrimidin-4-amine
    • DTXSID00606521
    • 6-Amino-4-(3-azabicyclo[3.2.2]nonan-3-yl)-2-iminopyrimidin-1(2H)-ol
    • SCHEMBL11535820
    • 68163-26-8
    • Inchi: 1S/C12H19N5O/c13-10-5-11(15-12(14)17(10)18)16-6-8-1-2-9(7-16)4-3-8/h5,8-9,14,18H,1-4,6-7,13H2
    • InChI Key: YCSYDSSXPFQHMZ-UHFFFAOYSA-N
    • SMILES: ON1C(=N)N=C(C=C1N)N1CC2CCC(C1)CC2

Computed Properties

  • Exact Mass: 249.15917
  • Monoisotopic Mass: 249.15896025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 408
  • 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: 1.9
  • Topological Polar Surface Area: 88.9?2

Experimental Properties

  • PSA: 95.11
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