≥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 | CC(C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-(propan-2-ylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile |
| InChIKey | NXOIEIFVSLYUNR-UHFFFAOYSA-N |
| INCHI | 1S/C19H16ClN5/c1-12(2)23-19-16(11-21)17(13-3-5-15(20)6-4-13)24-18(25-19)14-7-9-22-10-8-14/h3-10,12H,1-2H3,(H,23,24,25) |
| Isomeric SMILES | CC(C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
| PubChem CID | 1480476 |
| Molecular Weight | 349.82 |
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 Secondary alkylarylamines 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 - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Imidolactam - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary amine - Azacycle - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - 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 | 349.800 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.109 Da |
| Monoisotopic Mass | 349.109 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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 |
