6-imino-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-imino-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
6-imino-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | K781-8423 |
| Compound Name: | 6-imino-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C14 H10 N6 O S |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)SC1NC(C(=CN=1)C#N)=N |
| Stereo: | ACHIRAL |
| logP: | 0.0863 |
| logD: | 0.0863 |
| logSw: | -1.9336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.449 |
| InChI Key: | KKRVKYUSHMJCGX-UHFFFAOYSA-N |