8-(Ethylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

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Basic information

CAS: 5436-10-2
Standard SMILES: CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIKey: VJLTWKXFDJKGPR-UHFFFAOYSA-N
Molecular formula: C10H15N5O2
Average molar mass: 237.26 g/mol
Monoisotopic mass: 237.12257474

Names & identifiers

Preferred name: 8-(Ethylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
IUPAC: 8-(ethylamino)-1,3,7-trimethylpurine-2,6-dione
English name: 8-ethylamino-1,3,7-trimethyl-purine-2,6-dione
Molecular formula: C10H15N5O2
Molecular weight: 0

Names & synonyms

5436-10-28-(ethylamino)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC21354SCHEMBL14543892DTXSID502813421H-Purine-2,6-dione,8-(ethylamino)-3,7-dihydro-1,3,7-trimethyl-NSC-21354DS-0029788-ethylamino-1,3,7-trimethyl-purine-2,6-dione

Database identifiers

CAS: 5436-10-2
PubChem CID: 228422
DTXSID: DTXSID50281342

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 348

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Compound notes

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