2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-9061 |
| Compound Name: | 2-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C20 H20 N8 O S |
| Smiles: | C1CCN(CC1)c1nc(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8969 |
| logD: | -0.7375 |
| logSw: | -3.3711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.141 |
| InChI Key: | KPIUOEFPSCLSLN-UHFFFAOYSA-N |