prop-2-yn-1-yl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
prop-2-yn-1-yl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
prop-2-yn-1-yl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 8009-1407 |
| Compound Name: | prop-2-yn-1-yl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 293.28 |
| Molecular Formula: | C13 H15 N3 O5 |
| Smiles: | COc1cc(NC(CCC(=O)OCC#C)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.3119 |
| logD: | 0.7977 |
| logSw: | -2.0737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.768 |
| InChI Key: | VJICEYDJXZPLNE-UHFFFAOYSA-N |