2,6-dichloro-N-methylpyrimidin-4-amine

• ChemBase ID: 797127
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: c1c(nc(nc1Cl)Cl)NC
• Canonical SMILES: CNc1cc(Cl)nc(n1)Cl
• InChI: InChI=1S/C5H5Cl2N3/c1-8-4-2-3(6)9-5(7)10-4/h2H,1H3,(H,8,9,10)
• InChIKey: QLVKPJDPGNLXSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N-methylpyrimidin-4-amine
• IUPAC Traditional name: 2,6-dichloro-N-methylpyrimidin-4-amine
• Synonyms: 2,6-dichloro-N-Methyl pyriMidin-4-aMine; 2,6-Dichloro-N-MethylpyriMidin-4-aMine

Database IDs

• CAS Number: 32998-03-1; 10397-15-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8497398
• LogD (pH = 7.4): 1.8497432
• Log P: 1.8497434
• Molar Refractivity: 44.5943 cm^3
• Polarizability: 15.5800495 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%