9-(2,3-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(2,3-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(2,3-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1098 |
| Compound Name: | 9-(2,3-dimethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1ccc(CN2C(c3c(nc4N(CCCn34)c3cccc(C)c3C)N(C)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2671 |
| logD: | 5.2564 |
| logSw: | -5.059 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.482 |
| InChI Key: | IQIIYBHSCLCRHD-UHFFFAOYSA-N |