2,7-Dimethyl-6,7-dihydropteridin-4(1H)-one

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Basic information

CAS: 124613-05-4
Standard SMILES: Cc1nc2c(c(=O)[nH]1)=NCC(C)N=2
InChIKey: KBTXBYSFGHNGLR-UHFFFAOYSA-N
Molecular formula: C8H10N4O
Average molar mass: 178.19 g/mol
Monoisotopic mass: 178.08546096

Names & identifiers

Preferred name: 2,7-Dimethyl-6,7-dihydropteridin-4(1H)-one
IUPAC: 2,7-dimethyl-6,7-dihydro-3H-pteridin-4-one
English name: 4(1H)-Pteridinone,6,7-dihydro-2,7-dimethyl-(9CI)
Molecular formula: C8H10N4O
Molecular weight: 178.19

Names & synonyms

124613-05-42,7-DIMETHYL-6,7-DIHYDROPTERIDIN-4(1H)-ONE2,7-dimethyl-6,7-dihydro-3H-pteridin-4-one4(1H)-Pteridinone,6,7-dihydro-2,7-dimethyl-(9CI)DTXSID40668067DB-2833244(1H)-PTERIDINONE, 6,7-DIHYDRO-2,7-DIMETHYL-4(3H)-Pteridinone, 6,7-dihydro-2,7-dimethyl-

Database identifiers

CAS: 124613-05-4
PubChem CID: 136276271
DTXSID: DTXSID40668067

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 66.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 353

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Compound notes

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