≥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 | C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 |
|---|---|
| IUPAC Name | 4-(4-chlorophenyl)-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carbonitrile |
| InChIKey | XQMIGUIBTKAEBV-UHFFFAOYSA-N |
| INCHI | 1S/C20H16ClN5O/c21-16-5-3-14(4-6-16)18-17(12-22)20(26-8-10-27-11-9-26)25-19(24-18)15-2-1-7-23-13-15/h1-7,13H,8-11H2 |
| Isomeric SMILES | C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CN=CC=C4 |
| PubChem CID | 1480452 |
| Molecular Weight | 377.83 |
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 Aminopyrimidines and derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - 5-phenylpyrimidine - 4-phenylpyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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 | 377.800 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 377.104 Da |
| Monoisotopic Mass | 377.104 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| 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 |
