| CAS Number | 914208-45-0 |
| Catalog Number | AG01E2S8 |
| Chemical Name | 5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C7H8BrN3O2/c1-11(2)7-9-3-4(8)5(10-7)6(12)13/h3H,1-2H3,(H,12,13) |
| InChI Key | VXAFRZOSKKWZTI-UHFFFAOYSA-N |
| MDL Number | MFCD08690773 |
| Molecular Formula | C7H8BrN3O2 |
| Molecular Weight | 246.0613 |
| SMILES | CN(C1=NC(C(O)=O)=C(Br)C=N1)C |
| Synonyms | 5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid,
914208-45-0,
ZINC26439224,
AKOS000320504,
5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid, AldrichCPR,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.064g/mol |
| Monoisotopic Mass | 244.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number