2-[4-(tert-butoxy)pyrimidin-2-yl]ethan-1-amine

• ChemBase ID: 803852
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: C(Cc1nc(ccn1)OC(C)(C)C)N
• Canonical SMILES: NCCc1nccc(n1)OC(C)(C)C
• InChI: InChI=1S/C10H17N3O/c1-10(2,3)14-9-5-7-12-8(13-9)4-6-11/h5,7H,4,6,11H2,1-3H3
• InChIKey: REEILIPQDDPHNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(tert-butoxy)pyrimidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(tert-butoxy)pyrimidin-2-yl]ethanamine
• Synonyms: 2-(4-TERT-BUTOXYPYRIMIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9476286
• LogD (pH = 7.4): -0.78231317
• Log P: 1.1815201
• Molar Refractivity: 55.9881 cm^3
• Polarizability: 21.713898 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%