| CAS Number | 1111105-03-3 |
| Catalog Number | AG01FP9D(AGN-PC-3H5OJP) |
| Chemical Name | 5-[4-(Trifluoromethoxy)phenyl]pyrimidin-2-amine |
| IUPAC Name | 5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine |
| InChI | InChI=1S/C11H8F3N3O/c12-11(13,14)18-9-3-1-7(2-4-9)8-5-16-10(15)17-6-8/h1-6H,(H2,15,16,17) |
| InChI Key | LAKCMOIDDWOAHA-UHFFFAOYSA-N |
| MDL Number | MFCD11877104 |
| Molecular Formula | C11H8F3N3O |
| Molecular Weight | 255.1959 |
| SMILES | c1(ccc(cc1)c1cnc(nc1)N)OC(F)(F)F |
| Synonyms | 1111105-03-3,
5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine,
5-?[4-?(Trifluoromethoxy)?phenyl]?pyrimidin-?2-?amine,
SCHEMBL1333400,
MFCD11877104,
Z-2655,
2-Amino-5-(4-(trifluoromethoxy)phenyl)pyrimidine,
5-(4-(Trifluoromethoxy)phenyl)pyrimidin-2-amine,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.2g/mol |
| Monoisotopic Mass | 255.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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