Cas no 32526-79-7 (2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl-)

2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl- structure
32526-79-7 structure
Product Name:2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl-
CAS No:32526-79-7
MF:C9H10N4O2
MW:206.20130109787
CID:318374
PubChem ID:249165
Update Time:2025-04-19

2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl-
    • 1,3,7-trimethylpteridine-2,4-dione
    • 1,3,7-Trimethyl-1H-pteridin-2,4-dion
    • 1,3,7-trimethyl-1H-pteridine-2,4-dione
    • 1,3,7-trimethyllumazine
    • 1,3,7-Trimethylpteridin-2,4-dion
    • 1,3,7-Trimethyl-pteridine
    • 1,3,7-trimethylpteridine-2,4(1h,3h)-dione
    • AC1L6NVH
    • AC1Q6KDG
    • AR-1B6431
    • CTK4G8846
    • KST-1B3708
    • NSC67192
    • SureCN5448218
    • 32526-79-7
    • DTXSID30290174
    • NSC-67192
    • SCHEMBL5448218
    • Inchi: 1S/C9H10N4O2/c1-5-4-10-6-7(11-5)12(2)9(15)13(3)8(6)14/h4H,1-3H3
    • InChI Key: AYNMJWQFQJZDLL-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C(C2C(=NC(C)=CN=2)N1C)=O

Computed Properties

  • Exact Mass: 206.0805
  • Monoisotopic Mass: 206.080376
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 307
  • 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: 66.4
  • XLogP3: -0.3

Experimental Properties

  • Density: 1.338
  • Boiling Point: 377.9°C at 760 mmHg
  • Flash Point: 182.3°C
  • Refractive Index: 1.584
  • PSA: 66.4
  • LogP: -0.66440
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