Cas no 64882-33-3 (4(3H)-Pteridinone,6-methyl-2-(methylamino)-)

4(3H)-Pteridinone,6-methyl-2-(methylamino)- structure
64882-33-3 structure
Product Name:4(3H)-Pteridinone,6-methyl-2-(methylamino)-
CAS No:64882-33-3
MF:C8H9N5O
MW:191.189960241318
CID:501242
PubChem ID:136228952
Update Time:2025-04-19

4(3H)-Pteridinone,6-methyl-2-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 4(3H)-Pteridinone,6-methyl-2-(methylamino)-
    • 4(1H)-Pteridinone,6-methyl-2-(methylamino)- (9CI)
    • 6-methyl-2-(methylamino)-1H-pteridin-4-one
    • 64882-33-3
    • DTXSID40668360
    • 6-METHYL-2-(METHYLAMINO)PTERIDIN-4(1H)-ONE
    • Inchi: 1S/C8H9N5O/c1-4-3-10-6-5(11-4)7(14)13-8(9-2)12-6/h3H,1-2H3,(H2,9,10,12,13,14)
    • InChI Key: YPYSLOUNYSPBOT-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=NC=C(C)N=2)N=C(NC)N1

Computed Properties

  • Exact Mass: 191.08087
  • Monoisotopic Mass: 191.081
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 277
  • 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
  • Topological Polar Surface Area: 79.3A^2
  • XLogP3: -0.6

Experimental Properties

  • PSA: 79.27
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