[4-(pyridin-3-yl)pyrimidin-2-yl]methanamine hydrochloride

• ChemBase ID: 815490
• Molecular Formular: C10H11ClN4
• Molecular Mass: 222.67414
• Monoisotopic Mass: 222.06722405
• SMILES: Cl.C(N)c1nc(ccn1)c1cnccc1
• Canonical SMILES: NCc1nccc(n1)c1cccnc1.Cl
• InChI: InChI=1S/C10H10N4.ClH/c11-6-10-13-5-3-9(14-10)8-2-1-4-12-7-8;/h1-5,7H,6,11H2;1H
• InChIKey: UKUGXPLYYHGDAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-3-yl)pyrimidin-2-yl]methanamine hydrochloride
• IUPAC Traditional name: [4-(pyridin-3-yl)pyrimidin-2-yl]methanamine hydrochloride
• Synonyms: (4-(pyridin-3-yl)pyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196155-27-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7348827
• LogD (pH = 7.4): -0.02495291
• Log P: 0.4555299
• Molar Refractivity: 53.3137 cm^3
• Polarizability: 21.992594 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%