3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0821 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-9-(2-phenylethyl)-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: | CN1C(N(Cc2c(cccc2[Cl])F)C(c2c1nc1N(CCCn12)CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5793 |
| logD: | 4.5777 |
| logSw: | -4.6227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.207 |
| InChI Key: | ZWHIXZRBLPATNB-UHFFFAOYSA-N |