6-butyl-1-(6-methylpyridin-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-butyl-1-(6-methylpyridin-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-butyl-1-(6-methylpyridin-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0140 |
| Compound Name: | 6-butyl-1-(6-methylpyridin-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 331.44 |
| Molecular Formula: | C16 H21 N5 O S |
| Smiles: | CCCCN1CC2=C(NC1)N(C(NC2=O)=S)c1cccc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2776 |
| logD: | 2.2488 |
| logSw: | -2.8108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.444 |
| InChI Key: | DEMMSQOIWMNLMZ-UHFFFAOYSA-N |