4,6-dimethyl-2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine--butanedioic acid (1/1)
Chemical Structure Depiction of
4,6-dimethyl-2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine--butanedioic acid (1/1)
4,6-dimethyl-2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine--butanedioic acid (1/1)
Compound characteristics
| Compound ID: | 1069-0071 |
| Compound Name: | 4,6-dimethyl-2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine--butanedioic acid (1/1) |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C12 H19 N3 S |
| Salt: | HOOCCH2CH2COOH |
| Smiles: | Cc1cc(C)nc(n1)SCCN1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.8151 |
| logD: | -0.1995 |
| logSw: | -1.5556 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.2215 |
| InChI Key: | ULPLKVKNJUNHHI-UHFFFAOYSA-N |