| CAS Number | 22293-62-5 |
| Catalog Number | AG01B6DY |
| Chemical Name | 5-acetyl-1,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-acetyl-1,6-dimethylpyrimidine-2,4-dione |
| InChI | InChI=1S/C8H10N2O3/c1-4-6(5(2)11)7(12)9-8(13)10(4)3/h1-3H3,(H,9,12,13) |
| InChI Key | DWVVYQMBPJNTOH-UHFFFAOYSA-N |
| MDL Number | MFCD20544773 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC(C1C(=O)NC(=O)N(C)C=1C)=O |
| Synonyms | 5-acetyl-1,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,
22293-62-5,
AKOS034609178,
ZINC142403458,
5-acetyl-1,6-dimethylpyrimidine-2,4-dione,
5-acetyl-1,6-dimethyl-2,4(1H,3H)-pyrimidinedione,
Z821298688,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number