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

• ChemBase ID: 796525
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: c1c(nc(nc1Cl)Cl)N(C)C
• Canonical SMILES: Clc1nc(Cl)nc(c1)N(C)C
• InChI: InChI=1S/C6H7Cl2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3
• InChIKey: LXVKMWBQSJTIPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N,N-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2,6-dichloro-N,N-dimethylpyrimidin-4-amine
• Synonyms: 2,6-Dichloro-N,N-diMethylpyriMidin-4-aMine

Database IDs

• CAS Number: 117077-93-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4850066
• LogD (pH = 7.4): 2.485009
• Log P: 2.485009
• Molar Refractivity: 48.8291 cm^3
• Polarizability: 17.396275 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%