(2-tert-butylpyrimidin-4-yl)methanamine

• ChemBase ID: 803721
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C(N)c1ccnc(n1)C(C)(C)C
• Canonical SMILES: NCc1ccnc(n1)C(C)(C)C
• InChI: InChI=1S/C9H15N3/c1-9(2,3)8-11-5-4-7(6-10)12-8/h4-5H,6,10H2,1-3H3
• InChIKey: SDKOBYLTDBPJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-tert-butylpyrimidin-4-yl)methanamine
• IUPAC Traditional name: (2-tert-butylpyrimidin-4-yl)methanamine
• Synonyms: (2-TERT-BUTYLPYRIMIDIN-4-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.123054
• LogD (pH = 7.4): 0.56069714
• Log P: 1.6215031
• Molar Refractivity: 49.0003 cm^3
• Polarizability: 19.19422 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%