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

• ChemBase ID: 803601
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C(N)c1cnc(nc1)C(C)(C)C
• Canonical SMILES: NCc1cnc(nc1)C(C)(C)C
• InChI: InChI=1S/C9H15N3/c1-9(2,3)8-11-5-7(4-10)6-12-8/h5-6H,4,10H2,1-3H3
• InChIKey: YKJFJKQSMNOYKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5279492
• LogD (pH = 7.4): -0.030387372
• Log P: 1.4623926
• Molar Refractivity: 49.5225 cm^3
• Polarizability: 19.193651 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%