| CAS Number | 937640-08-9 |
| Catalog Number | AG01DWW4 |
| Chemical Name | 5-bromo-2-[(propan-2-yl)amino]pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-(propan-2-ylamino)pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C8H10BrN3O2/c1-4(2)11-8-10-3-5(9)6(12-8)7(13)14/h3-4H,1-2H3,(H,13,14)(H,10,11,12) |
| InChI Key | KGIIUYSPRJHUJG-UHFFFAOYSA-N |
| MDL Number | MFCD09837244 |
| Molecular Formula | C8H10BrN3O2 |
| Molecular Weight | 260.0879 |
| SMILES | CC(NC1=NC(C(O)=O)=C(Br)C=N1)C |
| Synonyms | 5-bromo-2-(propan-2-ylamino)pyrimidine-4-carboxylic acid,
937640-08-9,
ZX-AL001097,
AKOS000320263,
FCH2298335,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.091g/mol |
| Monoisotopic Mass | 258.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number