3-(3,3-dimethyl-2-oxobutyl)-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,3-dimethyl-2-oxobutyl)-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-(3,3-dimethyl-2-oxobutyl)-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1157 |
| Compound Name: | 3-(3,3-dimethyl-2-oxobutyl)-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | Cc1ccc(c(C)c1)N1CCCn2c3C(N(CC(C(C)(C)C)=O)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3697 |
| logD: | 4.3689 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58 |
| InChI Key: | UCHVNDQKGUAEJR-UHFFFAOYSA-N |