≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CNC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3 |
|---|---|
| IUPAC Name | 4-(methylamino)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile |
| InChIKey | INGBQAFMTBLRJZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H12F3N5/c1-23-17-14(10-22)15(12-3-2-4-13(9-12)18(19,20)21)25-16(26-17)11-5-7-24-8-6-11/h2-9H,1H3,(H,23,25,26) |
| Isomeric SMILES | CNC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3 |
| PubChem CID | 3553083 |
| Molecular Weight | 355.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpyrimidines |
| Alternative Parents | Phenylpyrimidines Trifluoromethylbenzenes Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - Pyridinylpyrimidine - Trifluoromethylbenzene - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Alkyl halide - Cyanide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 355.300 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 355.104 Da |
| Monoisotopic Mass | 355.104 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 511.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(Methylamino)-2-(4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarbonitrile - ≥90% , CAS No.477872-97-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)