7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0078 |
| Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(pyrrolidin-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(N(C)C(N(C)c2nc1N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6096 |
| logD: | 2.609 |
| logSw: | -2.6125 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.948 |
| InChI Key: | BOIAYWUNTNIJEJ-UHFFFAOYSA-N |