10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
modulators of advanced glycosylation end product receptor (RAGE) activity
| ALogP | 5.648 |
|---|---|
| Ligação rotativa | 6 |
| Pubchem Sid | 528767980 |
|---|---|
| Sorrisos canónicos | COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4OC)C(F)(F)F |
| IUPAC Name | 4-(2-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine |
| InChIKey | VAACNUHBNNORND-UHFFFAOYSA-N |
| INCHI | 1S/C23H23F3N4O2/c1-31-19-9-5-3-7-16(19)17-15-21(23(24,25)26)28-22(27-17)30-13-11-29(12-14-30)18-8-4-6-10-20(18)32-2/h3-10,15H,11-14H2,1-2H3 |
| SMILES isoméricas | COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4OC)C(F)(F)F |
| PubChem CID | 1868436 |
| Peso molecular | 444.45 |
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 |
| Classe | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Phenylpiperazines N-arylpiperazines Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - 4-phenylpyrimidine - 5-phenylpyrimidine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Methoxybenzene - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Heteroaromatic compound - Tertiary amine - Ether - Azacycle - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Descrição | 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 |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 444.400 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.177 Da |
| Monoisotopic Mass | 444.177 Da |
| Topological Polar Surface Area | 50.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| 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 |
