2-(5-tert-butylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803832
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: C(Cc1ncc(cn1)C(C)(C)C)N
• Canonical SMILES: NCCc1ncc(cn1)C(C)(C)C
• InChI: InChI=1S/C10H17N3/c1-10(2,3)8-6-12-9(4-5-11)13-7-8/h6-7H,4-5,11H2,1-3H3
• InChIKey: MQTFAFVCNKIIJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-tert-butylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-tert-butylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-TERT-BUTYLPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7111634
• LogD (pH = 7.4): -0.579442
• Log P: 1.4251703
• Molar Refractivity: 54.0717 cm^3
• Polarizability: 20.962471 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%