1,3-dimethyl-6-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-6-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1323 |
| Compound Name: | 1,3-dimethyl-6-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | Cc1ccc(CN2CCC(CC2)CN2CC3=C(NC2)N(C)C(N(C)C3=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3658 |
| logD: | -0.3288 |
| logSw: | -2.7275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.938 |
| InChI Key: | UBHYGVXQEAFGHF-UHFFFAOYSA-N |