1,3,7-Trimethylpteridine-2,4(1h,3h)-dione

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Basic information

CAS: 32526-79-7
Standard SMILES: Cc1cnc2c(=O)n(C)c(=O)n(C)c2n1
InChIKey: AYNMJWQFQJZDLL-UHFFFAOYSA-N
Molecular formula: C9H10N4O2
Average molar mass: 206.2 g/mol
Monoisotopic mass: 206.08037557

Names & identifiers

Preferred name: 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione
IUPAC: 1,3,7-trimethylpteridine-2,4-dione

Names & synonyms

1,3,7-trimethylpteridine-2,4(1h,3h)-dione32526-79-7DTXSID30290174RefChem:217608DTXCID502413201,3,7-trimethylpteridine-2,4-dioneNSC67192SCHEMBL5448218NSC-67192

Database identifiers

CAS: 32526-79-7
PubChem CID: 249165
DTXSID: DTXSID30290174

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 306

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Compound notes

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