3-butyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-butyl-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0720 |
| Compound Name: | 3-butyl-1-methyl-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: | CCCCN1C(c2c(nc3N(CCCn23)c2ccc(cc2)Oc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3582 |
| logD: | 5.3581 |
| logSw: | -5.1652 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.78 |
| InChI Key: | LXDCZDUBRGHISP-UHFFFAOYSA-N |