9-(3,4-dimethylphenyl)-1,7-dimethyl-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-(3,4-dimethylphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,4-dimethylphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0600 |
| Compound Name: | 9-(3,4-dimethylphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C25 H34 N6 O2 |
| Smiles: | CC1CN(c2ccc(C)c(C)c2)c2nc3c(C(N(CCN4CCCCC4)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6558 |
| logD: | 2.5029 |
| logSw: | -4.2223 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.611 |
| InChI Key: | QLSPQHPKKNAUIQ-KRWDZBQOSA-N |