N-(6-methylpyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine

• ChemBase ID: 62364
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: n1c(Nc2nc(ccc2)C)cccc1C1OCCNC1
• Canonical SMILES: Cc1cccc(n1)Nc1cccc(n1)C1CNCCO1
• InChI: InChI=1S/C15H18N4O/c1-11-4-2-6-14(17-11)19-15-7-3-5-12(18-15)13-10-16-8-9-20-13/h2-7,13,16H,8-10H2,1H3,(H,17,18,19)
• InChIKey: CTUCHUWJFKYOQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-(6-methylpyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine
• Synonyms: (6-Methyl-pyridin-2-yl)-(6-morpholin-2-yl-pyridin-2-yl)-amine

Database IDs

• MDL Number: MFCD19691435
• PubChem SID: 162028103
• PubChem CID: 66509680

CALCULATED PROPERTIES

• Acid pKa: 13.627087
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8555614
• LogD (pH = 7.4): 1.336186
• Log P: 1.9313885
• Molar Refractivity: 76.9945 cm^3
• Polarizability: 29.87694 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false