9-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1022 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 463.97 |
| Molecular Formula: | C25 H26 Cl N5 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(c3c(nc4N(CCCn34)c3ccc(C)c(c3)[Cl])N(C)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2273 |
| logD: | 6.2265 |
| logSw: | -6.0701 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.783 |
| InChI Key: | PPWVEMYAODFINC-UHFFFAOYSA-N |