[(5-chloropyrimidin-2-yl)methyl](methyl)amine

• ChemBase ID: 803800
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: C(NC)c1ncc(cn1)Cl
• Canonical SMILES: CNCc1ncc(cn1)Cl
• InChI: InChI=1S/C6H8ClN3/c1-8-4-6-9-2-5(7)3-10-6/h2-3,8H,4H2,1H3
• InChIKey: NVXLXHBGNKBBDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloropyrimidin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-chloropyrimidin-2-yl)methyl](methyl)amine
• Synonyms: 1-(5-CHLOROPYRIMIDIN-2-YL)-N-METHYLMETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1511745
• LogD (pH = 7.4): 0.36674178
• Log P: 0.6013186
• Molar Refractivity: 40.2858 cm^3
• Polarizability: 15.665867 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%