4-[2-(pyridin-4-yl)pyrimidine-5-carbonyl]morpholine

• ChemBase ID: 431862
• Molecular Formular: C14H14N4O2
• Molecular Mass: 270.28656
• Monoisotopic Mass: 270.11167571
• SMILES: C(=O)(c1cnc(nc1)c1ccncc1)N1CCOCC1
• Canonical SMILES: O=C(c1cnc(nc1)c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C14H14N4O2/c19-14(18-5-7-20-8-6-18)12-9-16-13(17-10-12)11-1-3-15-4-2-11/h1-4,9-10H,5-8H2
• InChIKey: XJSOCOMKCNOCBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-4-yl)pyrimidine-5-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(pyridin-4-yl)pyrimidine-5-carbonyl]morpholine
• Synonyms: 4-{[2-(4-pyridinyl)-5-pyrimidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.11860669
• LogD (pH = 7.4): 0.12052553
• Log P: 0.12055006
• Molar Refractivity: 83.9228 cm^3
• Polarizability: 28.097506 Å^3
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.27
• LOG S: -1.4
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 2