[5-(pyrimidin-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 797420
• Molecular Formular: C10H10N4
• Molecular Mass: 186.2132
• Monoisotopic Mass: 186.09054634
• SMILES: C(N)c1cncc(c1)c1ncccn1
• Canonical SMILES: NCc1cncc(c1)c1ncccn1
• InChI: InChI=1S/C10H10N4/c11-5-8-4-9(7-12-6-8)10-13-2-1-3-14-10/h1-4,6-7H,5,11H2
• InChIKey: QOJMHZSUYPKBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyrimidin-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(pyrimidin-2-yl)pyridin-3-yl]methanamine
• Synonyms: (5-(PyriMidin-2-yl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1346687-32-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.735852
• LogD (pH = 7.4): -1.3037988
• Log P: 0.2964194
• Molar Refractivity: 64.4499 cm^3
• Polarizability: 21.295338 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%