4,6-dimethoxy-2-[3-(pyridin-3-yl)azetidin-1-yl]pyrimidine

• ChemBase ID: 721432
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: c1(N2CC(C2)c2cnccc2)nc(cc(n1)OC)OC
• Canonical SMILES: COc1cc(OC)nc(n1)N1CC(C1)c1cccnc1
• InChI: InChI=1S/C14H16N4O2/c1-19-12-6-13(20-2)17-14(16-12)18-8-11(9-18)10-4-3-5-15-7-10/h3-7,11H,8-9H2,1-2H3
• InChIKey: UZWIWYOLRPKITB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxy-2-[3-(pyridin-3-yl)azetidin-1-yl]pyrimidine
• IUPAC Traditional name: 4,6-dimethoxy-2-[3-(pyridin-3-yl)azetidin-1-yl]pyrimidine
• Synonyms: 4,6-dimethoxy-2-[3-(3-pyridinyl)-1-azetidinyl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7608199
• LogD (pH = 7.4): 1.9901099
• Log P: 1.9940277
• Molar Refractivity: 75.9012 cm^3
• Polarizability: 28.151716 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: 2.63
• LOG S: -2.13
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 4