| CAS Number | 1153296-66-2 |
| Catalog Number | AG01AF63(AGN-PC-0WO0MZ) |
| Chemical Name | 2-tert-butyl-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-tert-butyl-4-propan-2-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C11H18N2O/c1-7(2)8-6-9(14)13-10(12-8)11(3,4)5/h6-7H,1-5H3,(H,12,13,14) |
| InChI Key | SHAUXULMHMNNNU-UHFFFAOYSA-N |
| MDL Number | MFCD12137541 |
| Molecular Formula | C11H18N2O |
| Molecular Weight | 194.2734 |
| SMILES | CC(C1N=C(C(C)(C)C)NC(=O)C=1)C |
| Synonyms | 2-tert-butyl-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one,
1153296-66-2,
ZINC36755215,
AKOS009577711,
MCULE-7922630222,
NE54218,
Z1770192928,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.278g/mol |
| Monoisotopic Mass | 194.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number