2,2-dimethyl-5-{[(pyrimidin-2-yl)amino]methylidene}-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2,2-dimethyl-5-{[(pyrimidin-2-yl)amino]methylidene}-1,3-dioxane-4,6-dione
2,2-dimethyl-5-{[(pyrimidin-2-yl)amino]methylidene}-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 4533-0278 |
| Compound Name: | 2,2-dimethyl-5-{[(pyrimidin-2-yl)amino]methylidene}-1,3-dioxane-4,6-dione |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C11 H11 N3 O4 |
| Smiles: | CC1(C)OC(C(=CNc2ncccn2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0329 |
| logD: | -1.8279 |
| logSw: | -1.3427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.615 |
| InChI Key: | NDEBULGYAWGFJK-UHFFFAOYSA-N |