≥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 | CN(C)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile |
| InChIKey | AZOPECUUMRZTJY-UHFFFAOYSA-N |
| INCHI | 1S/C19H15ClN4/c1-24(2)19-16(12-21)17(13-8-10-15(20)11-9-13)22-18(23-19)14-6-4-3-5-7-14/h3-11H,1-2H3 |
| Isomeric SMILES | CN(C)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
| PubChem CID | 1480433 |
| Molecular Weight | 334.81 |
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 | Phenylpyrimidines |
| Alternative Parents | Dialkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - 5-phenylpyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 334.800 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.099 Da |
| Monoisotopic Mass | 334.099 Da |
| Topological Polar Surface Area | 52.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
