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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione , CAS No.288102-94-3
Synonyms
5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione | 5-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione | HQQ | 5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEBI:43179 | 4MPM14604G | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(4-phenoxyphenyl)
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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
5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2, 4, 6-trione | 5-methyl-5-(4-phenoxyphenyl)-1, 3-diazinane-2, 4, 6-trione | HQQ | 5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEBI:43179 | 4MPM14604G | 2, 4, 6(1H, 3H, 5H)-Pyrimidinetrione, 5-methyl-5-(4-phenoxyphenyl)
Product Properties Names and Identifiers Canonical Smiles CC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OC3=CC=CC=C3 IUPAC Name 5-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione InChIKey RTBMLCLTYAPKIF-UHFFFAOYSA-N INCHI 1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22) Isomeric SMILES CC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)OC3=CC=CC=C3 Molecular Weight 310.3 Reaxy-Rn 8924544 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8924544&ln=
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 Benzenoids Class Benzene and substituted derivatives Subclass Diphenylethers Intermediate Tree Nodes Not available Direct Parent Diphenylethers Alternative Parents Diarylethers Phenoxy compounds Phenol ethers Pyrimidones Hydropyrimidines Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Pyrimidone - Hydropyrimidine - 2,5-dihydropyrimidine - Pyrimidine - Carbonic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. External Descriptors barbiturates 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 310.300 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 310.095 Da Monoisotopic Mass 310.095 Da Topological Polar Surface Area 84.500 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 471.000 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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