4-[5-(pyrimidin-5-yl)furan-2-carbonyl]morpholine

• ChemBase ID: 418367
• Molecular Formular: C13H13N3O3
• Molecular Mass: 259.26062
• Monoisotopic Mass: 259.09569129
• SMILES: c1(oc(cc1)c1cncnc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1ccc(o1)c1cncnc1)N1CCOCC1
• InChI: InChI=1S/C13H13N3O3/c17-13(16-3-5-18-6-4-16)12-2-1-11(19-12)10-7-14-9-15-8-10/h1-2,7-9H,3-6H2
• InChIKey: KCMLKYKGFQZJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(pyrimidin-5-yl)furan-2-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(pyrimidin-5-yl)furan-2-carbonyl]morpholine
• Synonyms: 4-(5-pyrimidin-5-yl-2-furoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24330528
• LogD (pH = 7.4): -0.24329951
• Log P: -0.24329944
• Molar Refractivity: 68.0732 cm^3
• Polarizability: 26.554335 Å^3
• Polar Surface Area: 68.46 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: -0.58
• LOG S: -1.91
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 2