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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Pyrimidinecarbonitrile, 4-(4-(1-amino-1-methylethyl)phenyl)-2-((4-(2-(4-morpholinyl)ethyl)phenyl)amino)- , CAS No.314267-57-7
Synonyms
JNJ-17029259 | UNII-95RGX89OQD | 95RGX89OQD | 5-Pyrimidinecarbonitrile, 4-(4-(1-amino-1-methylethyl)phenyl)-2-((4-(2-(4-morpholinyl)ethyl)phenyl)amino)- | BDBM50212029 | AKOS040748617 | 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
JNJ-17029259 | UNII-95RGX89OQD | 95RGX89OQD | 5-Pyrimidinecarbonitrile, 4-(4-(1-amino-1-methylethyl)phenyl)-2-((4-(2-(4-morpholinyl)ethyl)phenyl)amino)- | BDBM50212029 | AKOS040748617 | 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]
Product Properties Names and Identifiers Canonical Smiles CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4CCOCC4)N IUPAC Name 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile InChIKey MROGTPNQSHMKIG-UHFFFAOYSA-N INCHI 1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31) Isomeric SMILES CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4CCOCC4)N PubChem CID 11464906 Molecular Weight 442.6
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Phenylpropanes Phenethylamines Aniline and substituted anilines Aralkylamines Aminopyrimidines and derivatives Morpholines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 4-phenylpyrimidine - Phenethylamine - Phenylpropane - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Ether - Dialkyl ether - Azacycle - Oxacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Primary amine - Aromatic heteromonocyclic 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 442.600 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 442.248 Da Monoisotopic Mass 442.248 Da Topological Polar Surface Area 100.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 640.000 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
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