1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)-

HCID 218072

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Basic information

CAS: 40171-65-1
Standard SMILES: CCN(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey: UOQVSFHRDFGMBX-UHFFFAOYSA-N
Molecular formula: C16H19N5O2
Average molar mass: 313.35 g/mol
Monoisotopic mass: 313.15387487

Names & identifiers

Preferred name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)-
IUPAC: 8-[benzyl(ethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione

Names & synonyms

40171-65-11H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)-BRN 5616954DTXSID501931783,7-Dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)-1H-purine-2,6-dioneRefChem:239562DTXCID601156698-[benzyl(ethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione8-[benzyl(ethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione8-(Benzyl(ethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dioneOprea1_401266CCG-233369

Show more names

8-[Benzyl(ethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

CAS: 40171-65-1
PubChem CID: 218072
DTXSID: DTXSID50193178

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 465

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