2-(4,6-dichloropyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803844
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: C(Cc1nc(cc(n1)Cl)Cl)N
• Canonical SMILES: NCCc1nc(Cl)cc(n1)Cl
• InChI: InChI=1S/C6H7Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9/h3H,1-2,9H2
• InChIKey: XSIBOGLPRMNAJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dichloropyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,6-dichloropyrimidin-2-yl)ethanamine
• Synonyms: 2-(4,6-DICHLOROPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5746586
• LogD (pH = 7.4): -0.39632478
• Log P: 1.5511857
• Molar Refractivity: 47.138 cm^3
• Polarizability: 17.628761 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%