ethyl 4-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0008 |
| Compound Name: | ethyl 4-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C17 H20 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1c(C)cccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4544 |
| logD: | 2.4544 |
| logSw: | -2.6783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.986 |
| InChI Key: | KIXHSVPTEBTUEV-UHFFFAOYSA-N |