4-chloro-6-ethyl-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 144014
• Molecular Formular: C8H12ClN3
• Molecular Mass: 185.65398
• Monoisotopic Mass: 185.07197508
• SMILES: CCc1cc(nc(n1)N(C)C)Cl
• Canonical SMILES: CCc1cc(Cl)nc(n1)N(C)C
• InChI: InChI=1S/C8H12ClN3/c1-4-6-5-7(9)11-8(10-6)12(2)3/h5H,4H2,1-3H3
• InChIKey: RAASKXZZDRRVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-ethyl-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-chloro-6-ethyl-N,N-dimethylpyrimidin-2-amine
• Synonyms: 4-Chloro-6-ethyl-N,N-dimethylpyrimidin-2-amine; 4-chloro-6-ethyl-N,N-dimethylpyrimidin-2-amine

Database IDs

• CAS Number: 71406-66-1
• MDL Number: MFCD08361628
• PubChem SID: 162238231
• PubChem CID: 20284974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4863813
• LogD (pH = 7.4): 2.492613
• Log P: 2.4926932
• Molar Refractivity: 52.1814 cm^3
• Polarizability: 18.918688 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H12ClN3

DETAILS

Sigma Aldrich - CBR00541

Other Notes
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Legal Information
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