3,7-Dimethyl-8-piperazin-1-ylpurine-2,6-dione

HCID 839567

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Basic information

CAS: 67162-64-5
Standard SMILES: Cn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIKey: IZOLASKAALAMBS-UHFFFAOYSA-N
Molecular formula: C11H16N6O2
Average molar mass: 264.28 g/mol
Monoisotopic mass: 264.13347377

Names & identifiers

Preferred name: 3,7-Dimethyl-8-piperazin-1-ylpurine-2,6-dione
IUPAC: 3,7-dimethyl-8-piperazin-1-ylpurine-2,6-dione

Names & synonyms

BAS 0154164567162-64-53,7-dimethyl-8-piperazin-1-ylpurine-2,6-dioneOprea1_419259SCHEMBL10309073DTXSID20356990AKOS000580562ST50296599Z571617943,7-Dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

CAS: 67162-64-5
PubChem CID: 839567
DTXSID: DTXSID20356990

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 82.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 397

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