6-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
6-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1309 |
| Compound Name: | 6-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H28 F N5 O2 |
| Smiles: | CN1C2=C(CN(CC3CCN(CC3)Cc3ccccc3F)CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2368 |
| logD: | 0.4735 |
| logSw: | -2.5053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.938 |
| InChI Key: | JUNXZNITBPRMSG-UHFFFAOYSA-N |