9-(3-chloro-4-methylphenyl)-3-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1024 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C23 H21 Cl F N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(Cc4ccc(cc4)F)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2103 |
| logD: | 5.2095 |
| logSw: | -5.6108 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.783 |
| InChI Key: | HLTBYPPRROXOAS-UHFFFAOYSA-N |