| CAS Number | 1255147-35-3 |
| Catalog Number | AG009DXU(AGN-PC-0WB5ZR) |
| Chemical Name | 4-Methyl-5-(methylsulfonyl)pyrimidin-2-amine |
| IUPAC Name | 4-methyl-5-methylsulfonylpyrimidin-2-amine |
| InChI | InChI=1S/C6H9N3O2S/c1-4-5(12(2,10)11)3-8-6(7)9-4/h3H,1-2H3,(H2,7,8,9) |
| InChI Key | VHUNLEASJZCILL-UHFFFAOYSA-N |
| MDL Number | MFCD18064604 |
| Molecular Formula | C6H9N3O2S |
| Molecular Weight | 187.2196 |
| SMILES | S(C)(=O)(=O)C1=CN=C(N=C1C)N |
| Synonyms | 1255147-35-3,
4-Methyl-5-(methylsulfonyl)pyrimidin-2-amine,
4-methyl-5-(methylsulfonyl)-2-pyrimidinamine,
ALBB-014862,
ZX-AN013574,
ZX-CM009820,
3219AD,
MFCD18064604,
ZINC54957057,
AKOS005174672,
FCH1012669,
MCULE-2510113055,
5-methanesulfonyl-4-methylpyrimidin-2-amine,
AJ-112461,
Y-7813,
2-pyrimidinamine, 4-methyl-5-(methylsulfonyl)-,
4-methyl-5-(methylsulfonyl)-2-pyrimidinamine(SALTDATA,
C6H9N3O2S,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.217g/mol |
| Monoisotopic Mass | 187.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number