| CAS Number | 2137822-79-6 |
| Catalog Number | AG01ELNU |
| Chemical Name | 5-bromo-2-{[(furan-2-yl)methyl]amino}pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C10H8BrN3O3/c11-7-5-13-10(14-8(7)9(15)16)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H,15,16)(H,12,13,14) |
| InChI Key | QFDCTSCBVSOBFL-UHFFFAOYSA-N |
| MDL Number | MFCD31558725 |
| Molecular Formula | C10H8BrN3O3 |
| Molecular Weight | 298.0928 |
| SMILES | OC(C1=C(Br)C=NC(NCC2OC=CC=2)=N1)=O |
| Synonyms | AKOS034086787,
5-bromo-2-{[(furan-2-yl)methyl]amino}pyrimidine-4-carboxylic acid,
2137822-79-6,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.096g/mol |
| Monoisotopic Mass | 296.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number