3-butyl-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-butyl-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0153 |
| Compound Name: | 3-butyl-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | CCCCN1C(c2c(nc3N(CCCn23)c2cccc(c2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8069 |
| logD: | 3.8068 |
| logSw: | -3.8412 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.576 |
| InChI Key: | KEHOIFHNVNJAST-UHFFFAOYSA-N |