1,3-Dimethyl-6-phenylpteridine-2,4(1H,3H)-dione

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Basic information

CAS: 25477-76-3
Standard SMILES: Cn1c(=O)c2nc(-c3ccccc3)cnc2n(C)c1=O
InChIKey: DKIVATKWMWLPJW-UHFFFAOYSA-N
Molecular formula: C14H12N4O2
Average molar mass: 268.27 g/mol
Monoisotopic mass: 268.09602564

Names & identifiers

Preferred name: 1,3-Dimethyl-6-phenylpteridine-2,4(1H,3H)-dione
IUPAC: 1,3-dimethyl-6-phenylpteridine-2,4-dione

Names & synonyms

NSC28178625477-76-31,3-Dimethyl-6-phenylpteridine-2,4(1H,3H)-dioneCHEMBL594595SCHEMBL5440065DTXSID80314278NSC-2817861,3-dimethyl-6-phenyl-pteridine-2,4-dione2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6-phenyl-

Database identifiers

CAS: 25477-76-3
PubChem CID: 323059
DTXSID: DTXSID80314278
ChEMBL: CHEMBL594595
Nikkaji: J719.147B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 408

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Compound notes

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