9-(3-chloro-4-methylphenyl)-3-ethyl-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-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1009 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C18 H20 Cl N5 O2 |
| Smiles: | CCN1C(c2c(nc3N(CCCn23)c2ccc(C)c(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9083 |
| logD: | 3.9082 |
| logSw: | -4.1334 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.779 |
| InChI Key: | YTRYVXIWUIXHCQ-UHFFFAOYSA-N |