| CAS Number | 1249530-62-8 |
| Catalog Number | AG01B1JP |
| Chemical Name | 6-(4-Fluorophenyl)-2-methylpyrimidin-4-amine |
| IUPAC Name | 6-(4-fluorophenyl)-2-methylpyrimidin-4-amine |
| InChI | InChI=1S/C11H10FN3/c1-7-14-10(6-11(13)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15) |
| InChI Key | KKHQONCCNIVZJE-UHFFFAOYSA-N |
| MDL Number | MFCD16103592 |
| Molecular Formula | C11H10FN3 |
| Molecular Weight | 203.2156 |
| SMILES | CC1=NC(C2=CC=C(F)C=C2)=CC(N)=N1 |
| Synonyms | 6-(4-fluorophenyl)-2-methylpyrimidin-4-amine,
1249530-62-8,
MFCD16103592,
ZINC44262537,
AKOS011055486,
MCULE-7150808600,
NE44201,
6-(4-Fluorophenyl)-2-methylpyrimidin-4-amine, 95%,
F1967-7008,
Z1799834370,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.22g/mol |
| Monoisotopic Mass | 203.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number