2-[4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]ethan-1-amine hydrochloride

• ChemBase ID: 815524
• Molecular Formular: C12H15ClN4
• Molecular Mass: 250.7273
• Monoisotopic Mass: 250.09852418
• SMILES: Cl.C(Cc1nc(cc(n1)c1ncccc1)C)N
• Canonical SMILES: NCCc1nc(C)cc(n1)c1ccccn1.Cl
• InChI: InChI=1S/C12H14N4.ClH/c1-9-8-11(10-4-2-3-7-14-10)16-12(15-9)5-6-13;/h2-4,7-8H,5-6,13H2,1H3;1H
• InChIKey: PPVAZCPZLFFMDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]ethanamine hydrochloride
• Synonyms: 2-(4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196155-36-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8982904
• LogD (pH = 7.4): -0.7430964
• Log P: 1.2341512
• Molar Refractivity: 62.2326 cm^3
• Polarizability: 25.530342 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%