2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-(pyridin-3-yl)pyrimidine

• ChemBase ID: 715148
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(N2CC(C2)Oc2c(OC)cccc2)nc(c2cnccc2)ccn1
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1nccc(n1)c1cccnc1
• InChI: InChI=1S/C19H18N4O2/c1-24-17-6-2-3-7-18(17)25-15-12-23(13-15)19-21-10-8-16(22-19)14-5-4-9-20-11-14/h2-11,15H,12-13H2,1H3
• InChIKey: JJAJHOQQACUNIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-(pyridin-3-yl)pyrimidine
• IUPAC Traditional name: 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-(pyridin-3-yl)pyrimidine
• Synonyms: 2-[3-(2-methoxyphenoxy)-1-azetidinyl]-4-(3-pyridinyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.0019019
• LogD (pH = 7.4): 3.0262692
• Log P: 3.0265892
• Molar Refractivity: 94.4208 cm^3
• Polarizability: 37.322334 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: 2.79
• LOG S: -3.91
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 5