Mezilamine - ≥95% , CAS No.50335-55-2

CAS: 50335-55-2 Cat. No.: M1051654 PubChem CID: 68678

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Aktionsart

MODULATOR

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

IUPAC Name

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine

InChIKey

ITYXRJDDBZMFAY-UHFFFAOYSA-N

INCHI

1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)

Isomere SMILES

CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

Alternative CAS-Nummer

50335-55-2,74039-21-7 (unspecified hydrochloride)

PubChem CID

68678

MeSH-Eintrag

2-methylamino-4-N-methylpiperazino-5-thiomethyl-6-chloropyrimidine;mezilamine;mezilamine monohydrochloride;O 6553

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Dialkylarylamines Secondary alkylarylamines N-methylpiperazines Halopyrimidines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Aryl thioether - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 287.810 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 287.097 Da
• Monoisotopic Mass: 287.097 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 262.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 50335-55-2. InChIKey ITYXRJDDBZMFAY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.