4-chloro-N,N,5,6-tetramethylpyrimidin-2-amine

• ChemBase ID: 144016
• Molecular Formular: C8H12ClN3
• Molecular Mass: 185.65398
• Monoisotopic Mass: 185.07197508
• SMILES: Cc1c(nc(nc1Cl)N(C)C)C
• Canonical SMILES: CN(c1nc(C)c(c(n1)Cl)C)C
• InChI: InChI=1S/C8H12ClN3/c1-5-6(2)10-8(12(3)4)11-7(5)9/h1-4H3
• InChIKey: SLQVWRZBKSLQRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N,5,6-tetramethylpyrimidin-2-amine
• IUPAC Traditional name: 4-chloro-N,N,5,6-tetramethylpyrimidin-2-amine
• Synonyms: 4-Chloro-N,N,5,6-tetramethylpyrimidin-2-amine; 4-chloro-N,N,5,6-tetramethylpyrimidin-2-amine

Database IDs

• CAS Number: 65735-58-2
• MDL Number: MFCD08059996
• PubChem SID: 162238233
• PubChem CID: 12395349

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.300056
• LogD (pH = 7.4): 2.3055089
• Log P: 2.3055787
• Molar Refractivity: 52.5957 cm^3
• Polarizability: 18.844059 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H12ClN3

DETAILS

Sigma Aldrich - CBR00582

Other Notes
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Legal Information
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