Cas no 13300-38-4 (2,4(1H,3H)-Pteridinedione, 8-methyl-)

2,4(1H,3H)-Pteridinedione, 8-methyl- structure
13300-38-4 structure
Product Name:2,4(1H,3H)-Pteridinedione, 8-methyl-
CAS No:13300-38-4
MF:C7H6N4O2
MW:178.14814043045
CID:1231612
PubChem ID:601220
Update Time:2025-04-20

2,4(1H,3H)-Pteridinedione, 8-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pteridinedione, 8-methyl-
    • 8-Methyl-2,8-dihydro-2,4(3H)-pteridinedione
    • 8-Methyllumazine
    • 8-Methyl-2,4-pteridindion
    • Lumazine, 8-methyl-
    • 8-methylpteridine-2,4-dione
    • 13300-38-4
    • FEVFINCNKRMCDL-UHFFFAOYSA-N
    • 8-Methyl-2,4(3H,8H)-pteridinedione
    • 8-Methyl-2,4(3H,8H)-pteridinedione #
    • DTXSID701347917
    • Inchi: 1S/C7H6N4O2/c1-11-3-2-8-4-5(11)9-7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13)
    • InChI Key: FEVFINCNKRMCDL-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=NC(N1)=O)N(C)C=CN=2

Computed Properties

  • Exact Mass: 178.04918
  • Monoisotopic Mass: 178.04907545g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 380
  • 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: -0.9
  • Topological Polar Surface Area: 74.1?2

Experimental Properties

  • PSA: 74.13
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