4-Amino-6-(4-methyl-1-piperazinyl)pyrimidine - ≥95% , CAS No.96225-96-6

CAS: 96225-96-6 Cat. No.: A188890 Molecular Weight: 193.3

GRADE & PURITY ≥95%

Synonyms

MFCD09999229 | SY067293 | DTXSID40539203 | AKOS006282734 | 4-Amino-6-(4-methyl-1-piperazinyl)pyrimidine | AMY5630 | AC-31890 | 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)- | 4-Pyrimidinamine,6-(4-methyl-1-piperazinyl)- | J-514401 | SCHEMBL807737 | FS-279

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD09999229 | SY067293 | DTXSID40539203 | AKOS006282734 | 4-Amino-6-(4-methyl-1-piperazinyl)pyrimidine | AMY5630 | AC-31890 | 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)- | 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)- | J-514401 | SCHEMBL807737 | FS-279

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C2=NC=NC(=C2)N
• IUPAC Name: 6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
• InChIKey: NBVLAXUVAVBGGR-UHFFFAOYSA-N
• INCHI: 1S/C9H15N5/c1-13-2-4-14(5-3-13)9-6-8(10)11-7-12-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
• Isomeric SMILES: CN1CCN(CC1)C2=NC=NC(=C2)N
• Molecular Weight: 193.3
• Reaxy-Rn: 13906161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13906161&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Dialkylarylamines N-methylpiperazines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 193.250 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 193.133 Da
• Monoisotopic Mass: 193.133 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 178.000
• 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