9-(4-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0696 |
| Compound Name: | 9-(4-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 331.76 |
| Molecular Formula: | C15 H14 Cl N5 O2 |
| Smiles: | CN1C(NC(c2c1nc1N(CCCn12)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8083 |
| logD: | 2.8081 |
| logSw: | -3.6032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.734 |
| InChI Key: | TWISARZLRQETFV-UHFFFAOYSA-N |