4-[4-ethyl-6-(thiophen-3-yl)pyrimidin-2-yl]morpholine

• ChemBase ID: 680390
• Molecular Formular: C14H17N3OS
• Molecular Mass: 275.36928
• Monoisotopic Mass: 275.10923318
• SMILES: c1(nc(c2cscc2)cc(n1)CC)N1CCOCC1
• Canonical SMILES: CCc1nc(nc(c1)c1cscc1)N1CCOCC1
• InChI: InChI=1S/C14H17N3OS/c1-2-12-9-13(11-3-8-19-10-11)16-14(15-12)17-4-6-18-7-5-17/h3,8-10H,2,4-7H2,1H3
• InChIKey: GFBWFRLBOXZQGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-ethyl-6-(thiophen-3-yl)pyrimidin-2-yl]morpholine
• IUPAC Traditional name: 4-[4-ethyl-6-(thiophen-3-yl)pyrimidin-2-yl]morpholine
• Synonyms: 4-[4-ethyl-6-(3-thienyl)pyrimidin-2-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2497706
• LogD (pH = 7.4): 3.263313
• Log P: 3.2634885
• Molar Refractivity: 77.2598 cm^3
• Polarizability: 30.216385 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -3.86
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3