ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8019-8211 |
| Compound Name: | ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C25 H31 N7 O5 |
| Smiles: | CCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1CC1=C(C(c2ccccc2)NC(N1C)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8192 |
| logD: | 2.8168 |
| logSw: | -3.0955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.511 |
| InChI Key: | SNCKPKINIHDDJM-GOSISDBHSA-N |