4-Amino-5-chloro-2,6-dimethylpyrimidine - ≥96% , CAS No.2858-20-0

CAS: 2858-20-0 Cat. No.: A151267 Molecular Weight: 157.6 Beilstein Registry Number: 25(5)10,222 EC Number: 620-655-1

GRADE & PURITY ≥96%

Synonyms

4-Amino-5-chloro-2,6-dimethylpyrimidine | SB55692 | AKOS002789159 | 5-chloro-2,6-dimethylpyrimidin-4-amine | MFCD00191727 | D88478 | J-017130 | 4-Pyrimidinamine, 5-chloro-2,6-dimethyl- | 4-Amino-5-chloro-2,6-dimethylpyrimidine, 96% | DTXSID90344006 | 5-Ch

Storage

Room temperature

Shipped In

Normal

Overview

4-Amino-5-chloro-2,6-dimethylpyrimidine (ACDP) is an aminopyrimidine derivative. Its interaction as an electron donor with a σ-electron acceptor, iodine has been studied. 4-Amino-5-chloro-2,6-dimethylpyrimidine participates in the synthesis of diazino[c]quinolin-5(6H)-one and -isoquinolin-6(5H)-one, diazino[c]naphthyridin-6(5H)- and -5(6H)-one derivatives.
4-Amino-5-chloro-2,6-dimethylpyrimidine is suitable reagent employed as a nucleobase standard in the systematic quantitative structure-retention relationship (QSRR) study on pyrimidines between the molecular descriptors (variables) and their chromatographic retention (experimental unit).

Specifications

Synonyms

4-Amino-5-chloro-2, 6-dimethylpyrimidine | SB55692 | AKOS002789159 | 5-chloro-2, 6-dimethylpyrimidin-4-amine | MFCD00191727 | D88478 | J-017130 | 4-Pyrimidinamine, 5-chloro-2, 6-dimethyl- | 4-Amino-5-chloro-2, 6-dimethylpyrimidine, 96% | DTXSID90344006 | 5-Ch

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504759422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759422
• Canonical Smiles: CC1=C(C(=NC(=N1)C)N)Cl
• IUPAC Name: 5-chloro-2,6-dimethylpyrimidin-4-amine
• InChIKey: BKFCZKYCVQQMCX-UHFFFAOYSA-N
• INCHI: 1S/C6H8ClN3/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3,(H2,8,9,10)
• Isomeric SMILES: CC1=C(C(=NC(=N1)C)N)Cl
• WGK Germany: 3
• Molecular Weight: 157.6
• Beilstein: 25(5)10,222
• Reaxy-Rn: 127075
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127075&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: Halopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked 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

• Melt Point(°C): 164-166℃
• Molecular Weight: 157.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.041 Da
• Monoisotopic Mass: 157.041 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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