[2-(propan-2-yl)pyrimidin-4-yl]methanamine

• ChemBase ID: 806335
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C(N)c1ccnc(n1)C(C)C
• Canonical SMILES: NCc1ccnc(n1)C(C)C
• InChI: InChI=1S/C8H13N3/c1-6(2)8-10-4-3-7(5-9)11-8/h3-4,6H,5,9H2,1-2H3
• InChIKey: LLGMSGDBTHZSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(propan-2-yl)pyrimidin-4-yl]methanamine
• IUPAC Traditional name: (2-isopropylpyrimidin-4-yl)methanamine
• Synonyms: [2-(PROPAN-2-YL)PYRIMIDIN-4-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7150068
• LogD (pH = 7.4): -0.032026656
• Log P: 1.0315889
• Molar Refractivity: 44.4993 cm^3
• Polarizability: 17.350668 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%