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· · COA & SDS available for every product · Same-day shipping on in-stock items 9-(dimethylamino)-3-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one , CAS No.6048-64-2
Synonyms
9-(dimethylamino)-3-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one | 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one | SMR000105597 | CBMicro_042660 | Cambridge id 60
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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
9-(dimethylamino)-3-(4-methylphenyl)pyrido[3', 2':4, 5]thieno[3, 2-d]pyrimidin-4(3H)-one | 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3, 5, 10-triazatricyclo[7.4.0.02, 7]trideca-1(13), 2(7), 3, 9, 11-pentaen-6-one | SMR000105597 | CBMicro_042660 | Cambridge id 60
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C IUPAC Name 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one InChIKey TUKBLRJBXIQJPU-UHFFFAOYSA-N INCHI 1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3 Isomeric SMILES CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C Molecular Weight 336.4 Reaxy-Rn 6663592 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6663592&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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thienopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thienopyrimidines Alternative Parents Thienopyridines Dialkylarylamines Toluenes Pyrimidones Aminopyridines and derivatives Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Thienopyrimidine - Thienopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 336.400 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 336.104 Da Monoisotopic Mass 336.104 Da Topological Polar Surface Area 77.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 517.000 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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