| CAS Number | 1346819-04-2 |
| Catalog Number | AG01FS6X(AGN-PC-3H6011) |
| Chemical Name | 5-Bromo-N-methylpyrimidine-2-carboxamide |
| IUPAC Name | 5-bromo-N-methylpyrimidine-2-carboxamide |
| InChI | InChI=1S/C6H6BrN3O/c1-8-6(11)5-9-2-4(7)3-10-5/h2-3H,1H3,(H,8,11) |
| InChI Key | WKEUSKJXDSXYDG-UHFFFAOYSA-N |
| MDL Number | MFCD20039121 |
| Molecular Formula | C6H6BrN3O |
| Molecular Weight | 216.0353 |
| SMILES | BrC=1C=NC(=NC1)C(=O)NC |
| Synonyms | 5-bromo-N-methylpyrimidine-2-carboxamide,
1346819-04-2,
SCHEMBL658490,
WKEUSKJXDSXYDG-UHFFFAOYSA-N,
ZINC114333144,
2-Pyrimidinecarboxamide,5-bromo-N-methyl-,
2-Pyrimidinecarboxamide, 5-bromo-N-methyl-,
DB-090905,
AK00739546,
5-bromo-N-methyl-2-Pyrimidinecarboxamide,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.96942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.04g/mol |
| Monoisotopic Mass | 214.96942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number