9-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-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: | D389-1038 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C23 H29 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(CCN4CCCCC4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.313 |
| logD: | 2.1601 |
| logSw: | -4.3747 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.744 |
| InChI Key: | PRGCLZTTYRLPLI-UHFFFAOYSA-N |