2-(4,6-di-tert-butylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803847
• Molecular Formular: C14H25N3
• Molecular Mass: 235.3684
• Monoisotopic Mass: 235.20484782
• SMILES: C(Cc1nc(cc(n1)C(C)(C)C)C(C)(C)C)N
• Canonical SMILES: NCCc1nc(cc(n1)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C14H25N3/c1-13(2,3)10-9-11(14(4,5)6)17-12(16-10)7-8-15/h9H,7-8,15H2,1-6H3
• InChIKey: WYCXHRBZJJSTGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-di-tert-butylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,6-di-tert-butylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(4,6-DI-TERT-BUTYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6546366
• LogD (pH = 7.4): 1.798022
• Log P: 3.7885568
• Molar Refractivity: 71.9936 cm^3
• Polarizability: 28.260246 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%