9-(4-chlorophenyl)-1,3,7-trimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-chlorophenyl)-1,3,7-trimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-chlorophenyl)-1,3,7-trimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0885 |
| Compound Name: | 9-(4-chlorophenyl)-1,3,7-trimethyl-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: | CC1CN(c2ccc(cc2)[Cl])c2nc3c(C(N(C)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6889 |
| logD: | 3.6886 |
| logSw: | -4.0329 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.687 |
| InChI Key: | FEPKDKIVVVZRAQ-JTQLQIEISA-N |