5-Amino-2,4-dichloropyrimidine - ≥97% , CAS No.5177-27-5

CAS: 5177-27-5 Cat. No.: A123458 Molecular Weight: 163.99 EC Number: 664-402-3

GRADE & PURITY ≥97%

Synonyms

NSC-86381 | 5-Amino-2,4-dichloropyrimidine | 5-amino-2,4-dichloro-pyrimidine | 2,4-Dichloro-pyrimidin-5-ylamine | 2,4-Dichloropyrimidin-5-ylamine | BCP16127 | GALANTAMINE HYDROBROMIDE (MART.) | EN300-126896 | Q-102304 | RINHVELYMZLXIW-UHFFFAOYSA-N | 2,6-d

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

A pyrimidinamine derivative which may act as a Plk1 inhibitor

Specifications

Synonyms

NSC-86381 | 5-Amino-2, 4-dichloropyrimidine | 5-amino-2, 4-dichloro-pyrimidine | 2, 4-Dichloro-pyrimidin-5-ylamine | 2, 4-Dichloropyrimidin-5-ylamine | BCP16127 | GALANTAMINE HYDROBROMIDE (MART.) | EN300-126896 | Q-102304 | RINHVELYMZLXIW-UHFFFAOYSA-N | 2, 6-d

Specifications & Purity

≥97%

Storage

Store at 2-8°C, 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

• Pubchem Sid: 488189087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189087
• Canonical Smiles: C1=C(C(=NC(=N1)Cl)Cl)N
• IUPAC Name: 2,4-dichloropyrimidin-5-amine
• InChIKey: RINHVELYMZLXIW-UHFFFAOYSA-N
• INCHI: 1S/C4H3Cl2N3/c5-3-2(7)1-8-4(6)9-3/h1H,7H2
• Isomeric SMILES: C1=C(C(=NC(=N1)Cl)Cl)N
• WGK Germany: 3
• Molecular Weight: 163.99
• Reaxy-Rn: 124417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat, Light and Moisture sensitive
• Melt Point(°C): 118-123°C
• Molecular Weight: 163.990 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.97 Da
• Monoisotopic Mass: 162.97 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.800
• 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