7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D226-0072 |
Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 415.52 |
Molecular Formula: | C19 H25 N7 O2 S |
Smiles: | Cc1cc(C)nc(n1)SCCn1c2C(NC(N(C)c2nc1N1CCCCC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5266 |
logD: | 2.5265 |
logSw: | -2.7818 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.496 |
InChI Key: | PMZWYXKZCCRHAJ-UHFFFAOYSA-N |