Cas no 5444-27-9 (4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro-)

4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro- structure
5444-27-9 structure
Product Name:4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro-
CAS No:5444-27-9
MF:C7H9N5O
MW:179.179260015488
CID:386917
PubChem ID:135403384
Update Time:2025-04-19

4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro-
    • 2,4-Pyrimidinediamine,6-(dimethoxymethyl)-5-(4-fluorophenyl)-
    • 6-dimethoxymethyl-5-(4-fluoro-phenyl)-pyrimidine-2,4-diamine
    • 6-dimethoxymethyl-5-phenyl-pyrimidine-2,4-diamine
    • 6-dimethylamino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
    • AC1L6DSB
    • AC1Q4OCX
    • AG-J-38831
    • AR-1G9972
    • CTK4G6900
    • NSC153731
    • 6-(Dimethylamino)-2H-pyrazolo[3,4-d]pyrimidin-4-ol
    • 5444-27-9
    • DTXSID30969575
    • 6-(dimethylamino)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
    • NSC-19080
    • 6-(Dimethylamino)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
    • SCHEMBL18284261
    • NSC19080
    • Inchi： 1S/C7H9N5O/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13)
    • InChI Key： QLCHWMXKQWIKKA-UHFFFAOYSA-N
    • SMILES： O=C1C2C=NNC=2N=C(N1)N(C)C

Computed Properties

  • Exact Mass: 179.08087
  • Monoisotopic Mass: 179.081
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 352
  • 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: -0.7
  • Topological Polar Surface Area: 73.4?2

Experimental Properties

  • Density: 1.58
  • Boiling Point: 301.9°C at 760 mmHg
  • Flash Point: 136.4°C
  • Refractive Index: 1.753
  • PSA: 69.09

4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-(dimethylamino)-1,5-dihydro- Related Literature

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