6-(3,4-Dichlorophenyl)-1,3-dimethylpteridine-2,4-dione

HCID 323052

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Basic information

CAS: 64232-88-8
Standard SMILES: Cn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)cnc2n(C)c1=O
InChIKey: DKAZAIVGWWIDQO-UHFFFAOYSA-N
Molecular formula: C14H10Cl2N4O2
Average molar mass: 337.2 g/mol
Monoisotopic mass: 336.018081

Names & identifiers

Preferred name: 6-(3,4-Dichlorophenyl)-1,3-dimethylpteridine-2,4-dione
IUPAC: 6-(3,4-dichlorophenyl)-1,3-dimethylpteridine-2,4-dione

Names & synonyms

NSC28177964232-88-8DTXSID60314271NSC-281779DS-0035246-(3,4-Dichlorophenyl)-1,3-dimethylpteridine-2,4(1H,3H)-dione2,4(1H,3H)-PTERIDINEDIONE,6-(3,4-DICHLOROPHENYL)-1,3-DIMETHYL-

Database identifiers

CAS: 64232-88-8
PubChem CID: 323052
DTXSID: DTXSID60314271

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 478

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