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

• ChemBase ID: 803829
• Molecular Formular: C10H10N4
• Molecular Mass: 186.2132
• Monoisotopic Mass: 186.09054634
• SMILES: C(N)c1nc(ccn1)c1ccncc1
• Canonical SMILES: NCc1nccc(n1)c1ccncc1
• InChI: InChI=1S/C10H10N4/c11-7-10-13-6-3-9(14-10)8-1-4-12-5-2-8/h1-6H,7,11H2
• InChIKey: JZBCAWBXKGMPQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-4-yl)pyrimidin-2-yl]methanamine
• IUPAC Traditional name: [4-(pyridin-4-yl)pyrimidin-2-yl]methanamine
• Synonyms: (4-PYRIDIN-4-YLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7289551
• LogD (pH = 7.4): -0.026059425
• Log P: 0.4555299
• Molar Refractivity: 53.3137 cm^3
• Polarizability: 21.990353 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%