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

• ChemBase ID: 537944
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(N2CCC(CC2)Oc2cnccc2)cc(ncn1)OC
• Canonical SMILES: COc1ncnc(c1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C15H18N4O2/c1-20-15-9-14(17-11-18-15)19-7-4-12(5-8-19)21-13-3-2-6-16-10-13/h2-3,6,9-12H,4-5,7-8H2,1H3
• InChIKey: CMCCNSMWKOXMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4851155
• LogD (pH = 7.4): 1.6216543
• Log P: 1.6235619
• Molar Refractivity: 80.0684 cm^3
• Polarizability: 30.060009 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.48
• LOG S: -3.4
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 4