≥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(=C2)CSC3=CC=C(C=C3)Cl)C4=CC=CC=N4 |
|---|---|
| IUPAC Name | 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine |
| InChIKey | QRAVHOBHERRTSC-UHFFFAOYSA-N |
| INCHI | 1S/C20H19ClN4OS/c21-15-4-6-17(7-5-15)27-14-16-13-19(25-9-11-26-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2 |
| Isomeric SMILES | C1COCCN1C2=NC(=NC(=C2)CSC3=CC=C(C=C3)Cl)C4=CC=CC=N4 |
| PubChem CID | 1489499 |
| Molecular Weight | 398.92 |
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 | Thiophenol ethers Dialkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Chlorobenzenes Pyridines and derivatives Morpholines Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Aryl thioether - Thiophenol ether - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Oxacycle - Azacycle - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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 | 398.900 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.097 Da |
| Monoisotopic Mass | 398.097 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
