1-methyl-3-(2-methylpropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-methyl-3-(2-methylpropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1-methyl-3-(2-methylpropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0722 |
| Compound Name: | 1-methyl-3-(2-methylpropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CC(C)CN1C(c2c(nc3N(CCCn23)c2ccc(cc2)Oc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.279 |
| logD: | 5.2789 |
| logSw: | -5.0917 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.802 |
| InChI Key: | KDZWAVDUEWJHKH-UHFFFAOYSA-N |