≥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.
| Sonrisas canónicas | CC1=CC(=CC=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C)C#N)C4=CC=C(C=C4)OC |
|---|---|
| IUPAC Name | 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile |
| InChIKey | HITBEPQTWWGIFI-UHFFFAOYSA-N |
| INCHI | 1S/C24H25N5O/c1-17-5-4-6-19(15-17)23-26-22(18-7-9-20(30-3)10-8-18)21(16-25)24(27-23)29-13-11-28(2)12-14-29/h4-10,15H,11-14H2,1-3H3 |
| Isómeros SMILES | CC1=CC(=CC=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C)C#N)C4=CC=C(C=C4)OC |
| PubChem CID | 1487108 |
| Peso molecular | 399.5 |
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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | N-arylpiperazines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds N-methylpiperazines Alkyl aryl ethers Aminopyrimidines and derivatives Toluenes Imidolactams Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylpyrimidine - 4-phenylpyrimidine - N-arylpiperazine - Phenoxy compound - Anisole - Methoxybenzene - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Toluene - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Imidolactam - 1,4-diazinane - Piperazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 399.500 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 399.206 Da |
| Monoisotopic Mass | 399.206 Da |
| Topological Polar Surface Area | 65.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| 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 |
