≥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 | CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpyrimidine-5-carbonitrile |
| InChIKey | QDCGIOFNZUKMSD-UHFFFAOYSA-N |
| INCHI | 1S/C21H19ClN6/c1-27-10-12-28(13-11-27)21-18(14-23)19(15-2-4-17(22)5-3-15)25-20(26-21)16-6-8-24-9-7-16/h2-9H,10-13H2,1H3 |
| Isomeric SMILES | CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
| PubChem CID | 1480492 |
| Molecular Weight | 390.88 |
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 | N-arylpiperazines Phenylpyrimidines Dialkylarylamines N-methylpiperazines Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - 5-phenylpyrimidine - Pyridinylpyrimidine - N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Amine - 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 | 390.900 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 390.136 Da |
| Monoisotopic Mass | 390.136 Da |
| Topological Polar Surface Area | 68.900 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 542.000 |
| 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 |
