≥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 | CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-(diethylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile |
| InChIKey | STEUTTAEGTZPTN-UHFFFAOYSA-N |
| INCHI | 1S/C20H18ClN5/c1-3-26(4-2)20-17(13-22)18(14-5-7-16(21)8-6-14)24-19(25-20)15-9-11-23-12-10-15/h5-12H,3-4H2,1-2H3 |
| Isomeric SMILES | CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
| PubChem CID | 1480491 |
| Molecular Weight | 363.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Dialkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Pyridines 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 - Pyridinylpyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organopnictogen 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 | 363.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.125 Da |
| Monoisotopic Mass | 363.125 Da |
| Topological Polar Surface Area | 65.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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 |
