3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C101-0028 |
| Compound Name: | 3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C16 H19 N7 O2 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCCC1)n2CCSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4421 |
| logD: | 1.442 |
| logSw: | -2.4111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.113 |
| InChI Key: | CSCANSOYCCDCRA-UHFFFAOYSA-N |