2-amino-4-{[(4-fluorophenyl)methyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-amino-4-{[(4-fluorophenyl)methyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
2-amino-4-{[(4-fluorophenyl)methyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8001-5700 |
| Compound Name: | 2-amino-4-{[(4-fluorophenyl)methyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C13 H11 F N4 S2 |
| Smiles: | CSc1c(C#N)c(nc(N)n1)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.98 |
| logD: | 2.98 |
| logSw: | -3.0148 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.323 |
| InChI Key: | UIVJEAUWALVGBL-UHFFFAOYSA-N |