| CAS Number | 1379324-53-4 |
| Catalog Number | AG00145E(AGN-PC-0WAN7H) |
| Chemical Name | 5-Bromo-2-(methylsulfonyl)pyrimidin-4-amine |
| IUPAC Name | 5-bromo-2-methylsulfonylpyrimidin-4-amine |
| InChI | InChI=1S/C5H6BrN3O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9) |
| InChI Key | QMDXZZOONBDILU-UHFFFAOYSA-N |
| MDL Number | MFCD13193626 |
| Molecular Formula | C5H6BrN3O2S |
| Molecular Weight | 252.0890 |
| SMILES | NC1=NC(S(=O)(C)=O)=NC=C1Br |
| Synonyms | 5-Bromo-2-(methylsulfonyl)pyrimidin-4-amine,
1379324-53-4,
DTXSID90857661,
MFCD13193626,
ZINC95830996,
AKOS022175720,
AK-31664,
DS-11449,
AJ-135135,
5-Bromo-2-(methanesulfonyl)pyrimidin-4-amine,
4-Pyrimidinamine, 5-bromo-2-(methylsulfonyl)-,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.086g/mol |
| Monoisotopic Mass | 250.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number