4-[(3-hydroxypropyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[(3-hydroxypropyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-[(3-hydroxypropyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D287-0038 |
| Compound Name: | 4-[(3-hydroxypropyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(NCCCO)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3926 |
| logD: | 2.3926 |
| logSw: | -2.1831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.73 |
| InChI Key: | KVVPHEBAGBEHTI-UHFFFAOYSA-N |