| CAS Number | 1381941-03-2 |
| Catalog Number | AG01AFLO(AGN-PC-0WO8JV) |
| Chemical Name | 5-Bromo-2-(pyridin-4-yl)pyrimidin-4-amine |
| IUPAC Name | 5-bromo-2-pyridin-4-ylpyrimidin-4-amine |
| InChI | InChI=1S/C9H7BrN4/c10-7-5-13-9(14-8(7)11)6-1-3-12-4-2-6/h1-5H,(H2,11,13,14) |
| InChI Key | DFAKHBNXHRJXOD-UHFFFAOYSA-N |
| MDL Number | MFCD21745438 |
| Molecular Formula | C9H7BrN4 |
| Molecular Weight | 251.0827 |
| SMILES | NC1=C(Br)C=NC(C2=CC=NC=C2)=N1 |
| Synonyms | 5-bromo-2-(pyridin-4-yl)pyrimidin-4-amine,
1381941-03-2,
MFCD21745438,
ZINC85461549,
AKOS015647307,
MCULE-7567693139,
NE17863,
5-Bromo-2-(pyridin-4-yl)pyrimidin-4-amine, 95%,
Z1728629402,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.087g/mol |
| Monoisotopic Mass | 249.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number