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

• ChemBase ID: 803811
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C(N)c1ncc(cn1)C(C)(C)C
• Canonical SMILES: NCc1ncc(cn1)C(C)(C)C
• InChI: InChI=1S/C9H15N3/c1-9(2,3)7-5-11-8(4-10)12-6-7/h5-6H,4,10H2,1-3H3
• InChIKey: YWIMIJVIGZRXHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-tert-butylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (5-tert-butylpyrimidin-2-yl)methanamine
• Synonyms: (5-TERT-BUTYLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9681128
• LogD (pH = 7.4): 0.7284676
• Log P: 1.2343899
• Molar Refractivity: 49.3723 cm^3
• Polarizability: 19.194721 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%