| CAS Number | 99069-52-0 |
| Catalog Number | AG01AA5G(AGN-PC-00ZGGL) |
| Chemical Name | 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one |
| InChI | InChI=1S/C10H12N4O/c1-6-4-7(2)12-10(11-6)14-9(15)5-8(3)13-14/h4H,5H2,1-3H3 |
| InChI Key | OAPBOQRKEINXTQ-UHFFFAOYSA-N |
| MDL Number | MFCD00458590 |
| Molecular Formula | C10H12N4O |
| Molecular Weight | 204.2285 |
| SMILES | CC1CC(=O)N(C2=NC(C)=CC(C)=N2)N=1 |
| Synonyms | 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one,
99069-52-0,
AC1Q2PHI,
STK210109,
ZINC16776764,
AKOS002277338,
MCULE-5574643120,
NE11510,
ST50160906,
EN300-67128,
Z57796090,
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-2-pyrazolin-5-one,
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.233g/mol |
| Monoisotopic Mass | 204.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number