3-[(2-chloro-6-fluorophenyl)methyl]-9-(4-ethoxyphenyl)-1,7-dimethyl-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-(4-ethoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chloro-6-fluorophenyl)methyl]-9-(4-ethoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0475 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-9-(4-ethoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C25 H25 Cl F N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CC(C)Cn2c3C(N(Cc4c(cccc4[Cl])F)C(N(C)c3nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.261 |
| logD: | 5.2608 |
| logSw: | -5.7316 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.773 |
| InChI Key: | JTKIWPZKNMITAD-HNNXBMFYSA-N |