4-[2-(1-benzofuran-2-yl)-5-fluoropyrimidin-4-yl]morpholine

• ChemBase ID: 655422
• Molecular Formular: C16H14FN3O2
• Molecular Mass: 299.2996632
• Monoisotopic Mass: 299.10700492
• SMILES: n1c(c(cnc1c1oc2c(c1)cccc2)F)N1CCOCC1
• Canonical SMILES: Fc1cnc(nc1N1CCOCC1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C16H14FN3O2/c17-12-10-18-15(19-16(12)20-5-7-21-8-6-20)14-9-11-3-1-2-4-13(11)22-14/h1-4,9-10H,5-8H2
• InChIKey: URKRADKRAWKVBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(1-benzofuran-2-yl)-5-fluoropyrimidin-4-yl]morpholine
• IUPAC Traditional name: 4-[2-(1-benzofuran-2-yl)-5-fluoropyrimidin-4-yl]morpholine
• Synonyms: 4-[2-(1-benzofuran-2-yl)-5-fluoropyrimidin-4-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.232031
• LogD (pH = 7.4): 3.2321131
• Log P: 3.2321143
• Molar Refractivity: 90.885 cm^3
• Polarizability: 31.330095 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.9
• LOG S: -3.01
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 2