N-(2-Chloropyrimidin-4-yl)-N,2,3-trimethyl-2H-indazol-6-amine - ≥97% , CAS No.444731-75-3

CAS: 444731-75-3 Cat. No.: N589145 Molecular Weight: 287.75 EC Number: 810-050-2

GRADE & PURITY ≥97%

Synonyms

A7064 | AM20090657 | EN300-265810 | N-(2-CHLOROPYRIMIDIN-4-YL)-N,2,3-TRIMETHYL-2H-INDAZOL-6-AMINE | N-(2-CHLOROPYRIMIDIN-4-YL)-N,2,3-TRIMETHYLINDAZOL-6-AMINE | F11991 | BCP13045 | AKOS015918031 | AS-71135 | DVGMRZQSSNNTFY-UHFFFAOYSA-N | AC-25865 | (2-Chlo

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A7064 | AM20090657 | EN300-265810 | N-(2-CHLOROPYRIMIDIN-4-YL)-N, 2, 3-TRIMETHYL-2H-INDAZOL-6-AMINE | N-(2-CHLOROPYRIMIDIN-4-YL)-N, 2, 3-TRIMETHYLINDAZOL-6-AMINE | F11991 | BCP13045 | AKOS015918031 | AS-71135 | DVGMRZQSSNNTFY-UHFFFAOYSA-N | AC-25865 | (2-Chlo

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)Cl
• IUPAC Name: N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine
• InChIKey: DVGMRZQSSNNTFY-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3
• Isomeric SMILES: CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)Cl
• Molecular Weight: 287.75
• Reaxy-Rn: 14200070
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14200070&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Indazoles Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Benzenoids Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Benzopyrazole - Indazole - 2-halopyrimidine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 287.750 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 287.094 Da
• Monoisotopic Mass: 287.094 Da
• Topological Polar Surface Area: 46.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 342.000
• 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