| CAS Number | 1353101-60-6 |
| Catalog Number | AG01BCHO(AGN-PC-0WNRGI) |
| Chemical Name | 5-Fluoro-N-methylpyrimidin-4-amine |
| IUPAC Name | 5-fluoro-N-methylpyrimidin-4-amine |
| InChI | InChI=1S/C5H6FN3/c1-7-5-4(6)2-8-3-9-5/h2-3H,1H3,(H,7,8,9) |
| InChI Key | BSHLVEXYIJBURU-UHFFFAOYSA-N |
| MDL Number | MFCD24383683 |
| Molecular Formula | C5H6FN3 |
| Molecular Weight | 127.1196 |
| SMILES | CNC1=C(F)C=NC=N1 |
| Synonyms | 5-fluoro-N-methylpyrimidin-4-amine,
1353101-60-6,
SCHEMBL2745415,
ZINC95075756,
AKOS033781428,
AM92023,
Z2168496059,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.122g/mol |
| Monoisotopic Mass | 127.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number