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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 | CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F |
|---|---|
| IUPAC Name | 2-(4-fluoroanilino)-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one |
| InChIKey | ONSZEUCTVQJHOZ-UHFFFAOYSA-N |
| INCHI | 1S/C34H33F2N5O5/c1-40-33(42)26(21-38-34(40)39-24-7-5-23(35)6-8-24)22-4-9-30(27(36)18-22)46-29-10-11-37-28-20-32(31(43-2)19-25(28)29)45-15-3-12-41-13-16-44-17-14-41/h4-11,18-21H,3,12-17H2,1-2H3,(H,38,39) |
| Isomeric SMILES | CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F |
| PubChem CID | 11858109 |
| Molecular Weight | 629.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Phenylpyrimidines |
| Alternative Parents | Diarylethers Quinolines and derivatives Phenoxy compounds Aniline and substituted anilines Anisoles Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Pyridines and derivatives Morpholines Hydropyrimidines Aryl fluorides Heteroaromatic compounds Trialkylamines Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylpyrimidine - Diaryl ether - Quinoline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Morpholine - Oxazinane - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Dialkyl ether - Oxacycle - Ether - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 629.700 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 629.245 Da |
| Monoisotopic Mass | 629.245 Da |
| Topological Polar Surface Area | 97.800 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1070.000 |
| 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 |
![5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one , CAS No.890019-63-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)