| CAS Number | 88070-33-1 |
| Catalog Number | AG008CYY(AGN-PC-00PRQ7) |
| Chemical Name | 2-Isopropyl-4,6-dimethyl-5-pyrimidinol |
| IUPAC Name | 4,6-dimethyl-2-propan-2-ylpyrimidin-5-ol |
| InChI | InChI=1S/C9H14N2O/c1-5(2)9-10-6(3)8(12)7(4)11-9/h5,12H,1-4H3 |
| InChI Key | NMACYEIIDPIVJD-UHFFFAOYSA-N |
| MDL Number | MFCD00466670 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | C1(C(C)C)=NC(C)=C(C(C)=N1)O |
| Synonyms | 88070-33-1,
2-Isopropyl-4,6-dimethyl-5-pyrimidinol,
5-Pyrimidinol, 4,6-dimethyl-2-(1-methylethyl)-,
2-Isopropyl-4,6-dimethylpyrimidin-5-ol,
4,6-Dimethyl-2-(propan-2-yl)pyrimidin-5-ol,
CTK3B8639,
DTXSID90574902,
ZX-CM018393,
FCH835587,
MFCD00466670,
ZINC19094400,
AKOS003669953,
AJ-72443,
W-7148,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.224g/mol |
| Monoisotopic Mass | 166.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number