2-(4-chloro-6-methoxypyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803861
• Molecular Formular: C7H10ClN3O
• Molecular Mass: 187.6268
• Monoisotopic Mass: 187.05123964
• SMILES: C(Cc1nc(cc(n1)OC)Cl)N
• Canonical SMILES: NCCc1nc(OC)cc(n1)Cl
• InChI: InChI=1S/C7H10ClN3O/c1-12-7-4-5(8)10-6(11-7)2-3-9/h4H,2-3,9H2,1H3
• InChIKey: SVQAGWDMQQBKHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-6-methoxypyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-chloro-6-methoxypyrimidin-2-yl)ethanamine
• Synonyms: 2-(4-CHLORO-6-METHOXYPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0020318
• LogD (pH = 7.4): -0.8240074
• Log P: 1.1238887
• Molar Refractivity: 48.0486 cm^3
• Polarizability: 18.180532 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%