5-ethyl-2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidine

• ChemBase ID: 574893
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(c2ncc(cn2)CC)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: CCc1cnc(nc1)N1CC(C1)Oc1ccccc1OC
• InChI: InChI=1S/C16H19N3O2/c1-3-12-8-17-16(18-9-12)19-10-13(11-19)21-15-7-5-4-6-14(15)20-2/h4-9,13H,3,10-11H2,1-2H3
• InChIKey: FHVDRYNMNNWVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidine
• IUPAC Traditional name: 5-ethyl-2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidine
• Synonyms: 5-ethyl-2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1679955
• LogD (pH = 7.4): 3.169161
• Log P: 3.1691759
• Molar Refractivity: 81.4557 cm^3
• Polarizability: 30.87031 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.17
• LOG S: -3.99
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5