3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1145 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C24 H23 Cl F N5 O2 |
| Smiles: | Cc1ccc(c(C)c1)N1CCCn2c3C(N(Cc4c(cccc4[Cl])F)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5243 |
| logD: | 5.5224 |
| logSw: | -5.8267 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.482 |
| InChI Key: | BQWHEGLOJBHMBB-UHFFFAOYSA-N |