4,6-Dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-amine - ≥98% , CAS No.352024-83-0

CAS: 352024-83-0 Cat. No.: D1035893 Molecular Weight: 291.370

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCOCC3)N)C
• IUPAC Name: (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
• InChIKey: LUGYGQDIXNALNG-UHFFFAOYSA-N
• INCHI: 1S/C14H17N3O2S/c1-8-7-9(2)16-13-10(8)11(15)12(20-13)14(18)17-3-5-19-6-4-17/h7H,3-6,15H2,1-2H3
• Molecular Weight: 291.370

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Morpholine carboxylic acids and derivatives Thiophene carboxamides 2-heteroaryl carboxamides Methylpyridines Aminothiophenes Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Morpholine-4-carboxylic acid or derivatives - Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Methylpyridine - Aminothiophene - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 291.370 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 291.104 Da
• Monoisotopic Mass: 291.104 Da
• Topological Polar Surface Area: 96.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 375.000
• 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