| CAS Number | 1289210-04-3 |
| Catalog Number | AG01BVBP |
| Chemical Name | 5-bromo-N-(4-methylphenyl)pyrimidin-2-amine |
| IUPAC Name | 5-bromo-N-(4-methylphenyl)pyrimidin-2-amine |
| InChI | InChI=1S/C11H10BrN3/c1-8-2-4-10(5-3-8)15-11-13-6-9(12)7-14-11/h2-7H,1H3,(H,13,14,15) |
| InChI Key | BCSNLDBNYXJRMZ-UHFFFAOYSA-N |
| MDL Number | MFCD19019811 |
| Molecular Formula | C11H10BrN3 |
| Molecular Weight | 264.1212 |
| SMILES | CC1=CC=C(NC2=NC=C(Br)C=N2)C=C1 |
| Synonyms | 5-bromo-N-(4-methylphenyl)pyrimidin-2-amine,
1289210-04-3,
ZINC67119667,
AKOS008228180,
Z1165937947,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.126g/mol |
| Monoisotopic Mass | 263.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number