1-(3-chloro-2-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-(3-chloro-2-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8019-1762 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C16 H19 Cl N4 O2 |
| Smiles: | CC(C)N1CC2=C(NC1)N(C(NC2=O)=O)c1cccc(c1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5008 |
| logD: | 2.342 |
| logSw: | -3.162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.494 |
| InChI Key: | CBXICZDPDXUBGC-UHFFFAOYSA-N |