9-(3-chloro-4-methylphenyl)-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3-chloro-4-methylphenyl)-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1034 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C19 H20 Cl N5 O3 |
| Smiles: | CC(CN1C(c2c(nc3N(CCCn23)c2ccc(C)c(c2)[Cl])N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0213 |
| logD: | 3.0209 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.389 |
| InChI Key: | RJKWITQXQMXFHF-UHFFFAOYSA-N |