≥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 | C=CCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=CC=N3 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-(prop-2-enylamino)-2-pyridin-2-ylpyrimidine-5-carbonitrile |
| InChIKey | NWPRELLNEPFPJP-UHFFFAOYSA-N |
| INCHI | 1S/C19H14ClN5/c1-2-10-23-18-15(12-21)17(13-6-8-14(20)9-7-13)24-19(25-18)16-5-3-4-11-22-16/h2-9,11H,1,10H2,(H,23,24,25) |
| Isomeric SMILES | C=CCNC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=CC=N3 |
| PubChem CID | 3712454 |
| Molecular Weight | 347.81 |
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 Chlorobenzenes Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - Pyridinylpyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - 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 | 347.800 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.094 Da |
| Monoisotopic Mass | 347.094 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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 |
