9-(4-chlorophenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-chlorophenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-chlorophenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0697 |
| Compound Name: | 9-(4-chlorophenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 359.81 |
| Molecular Formula: | C17 H18 Cl N5 O2 |
| Smiles: | CCN1C(c2c(nc3N(CCCn23)c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2732 |
| logD: | 3.2731 |
| logSw: | -3.5336 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.779 |
| InChI Key: | SPKRMCMDDPGIHE-UHFFFAOYSA-N |