1-methyl-9-(3-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-methyl-9-(3-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1-methyl-9-(3-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0336 |
| Compound Name: | 1-methyl-9-(3-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | Cc1cccc(c1)N1CCCn2c3C(N(CCN4CCCCC4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5565 |
| logD: | 1.4037 |
| logSw: | -3.5289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.744 |
| InChI Key: | NMGSCRANPUSVRM-UHFFFAOYSA-N |