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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(3-Chlorophenylamino)-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine , CAS No.173458-56-5
Synonyms
CGP-59326 | TRX-13 | UNII-YP9UZR062O | YP9UZR062O | 4-(3-Chlorophenylamino)-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine | N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 1H-Pyrrolo(2,3-d)pyrimidin-4-amine, N-(3-chlorophenyl)-5,6-dimethyl
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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
CGP-59326 | TRX-13 | UNII-YP9UZR062O | YP9UZR062O | 4-(3-Chlorophenylamino)-5, 6-dimethyl-7H-pyrrolo(2, 3-d)pyrimidine | N-(3-chlorophenyl)-5, 6-dimethyl-7H-pyrrolo[2, 3-d]pyrimidin-4-amine | 1H-Pyrrolo(2, 3-d)pyrimidin-4-amine, N-(3-chlorophenyl)-5, 6-dimethyl
Product Properties Names and Identifiers Canonical Smiles CC1=C(NC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl)C IUPAC Name N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine InChIKey WXJDWBDGDSXEFA-UHFFFAOYSA-N INCHI 1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19) Isomeric SMILES CC1=C(NC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl)C PubChem CID 9816954 Molecular Weight 272.73
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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrrolopyrimidines Subclass Pyrrolo[2,3-d]pyrimidines Intermediate Tree Nodes Not available Direct Parent Pyrrolo[2,3-d]pyrimidines Alternative Parents Aniline and substituted anilines Chlorobenzenes Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrrolo[2,3-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 272.730 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 272.083 Da Monoisotopic Mass 272.083 Da Topological Polar Surface Area 53.600 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 314.000 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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