| CAS Number | 91416-97-6 |
| Catalog Number | AG01BGYT(AGN-PC-00LQSS) |
| Chemical Name | 5-iodo-N-methylpyrimidin-4-amine |
| IUPAC Name | 5-iodo-N-methylpyrimidin-4-amine |
| InChI | InChI=1S/C5H6IN3/c1-7-5-4(6)2-8-3-9-5/h2-3H,1H3,(H,7,8,9) |
| InChI Key | QXQNKFMXAOIMKX-UHFFFAOYSA-N |
| MDL Number | MFCD19441319 |
| Molecular Formula | C5H6IN3 |
| Molecular Weight | 235.0257 |
| SMILES | CNC1=C(I)C=NC=N1 |
| Synonyms | 5-iodo-N-methylpyrimidin-4-amine,
91416-97-6,
5-iodo-4-methylaminopyrimidine,
SCHEMBL1857855,
QXQNKFMXAOIMKX-UHFFFAOYSA-N,
4-Pyrimidinamine, 5-iodo-N-methyl-,
ZINC84192840,
AKOS015156325,
Z1947444056,
(5-Iodo-pyrimidin-4-yl)-methyl-amine,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.028g/mol |
| Monoisotopic Mass | 234.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number