9-(4-chlorophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-chlorophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-chlorophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0712 |
| Compound Name: | 9-(4-chlorophenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 442.95 |
| Molecular Formula: | C22 H27 Cl N6 O2 |
| Smiles: | CN1C(N(CCN2CCCCC2)C(c2c1nc1N(CCCn12)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6779 |
| logD: | 1.525 |
| logSw: | -4.0186 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.744 |
| InChI Key: | QYBDOHIVTXYVLI-UHFFFAOYSA-N |