4-methoxy-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

• ChemBase ID: 463226
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: c1(N2CC(OCc3ncccc3)CCC2)cc(ncn1)OC
• Canonical SMILES: COc1ncnc(c1)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C16H20N4O2/c1-21-16-9-15(18-12-19-16)20-8-4-6-14(10-20)22-11-13-5-2-3-7-17-13/h2-3,5,7,9,12,14H,4,6,8,10-11H2,1H3
• InChIKey: FFOMMHSCUJCOSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• IUPAC Traditional name: 4-methoxy-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• Synonyms: 4-methoxy-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1207912
• LogD (pH = 7.4): 2.1948693
• Log P: 2.1958847
• Molar Refractivity: 84.4293 cm^3
• Polarizability: 31.907373 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.38
• LOG S: -2.13
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 5