4-[bis(2-hydroxyethyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[bis(2-hydroxyethyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-[bis(2-hydroxyethyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0464 |
| Compound Name: | 4-[bis(2-hydroxyethyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(n1)N(CCO)CCO |
| Stereo: | ACHIRAL |
| logP: | 2.3772 |
| logD: | 2.3772 |
| logSw: | -2.0724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.575 |
| InChI Key: | KGXKLCIYSGYRRS-UHFFFAOYSA-N |