4-[6-(pyridin-3-yl)pyrimidin-4-yl]morpholine

• ChemBase ID: 825993
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: c1(cc(ncn1)c1cnccc1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ncnc(c1)c1cccnc1
• InChI: InChI=1S/C13H14N4O/c1-2-11(9-14-3-1)12-8-13(16-10-15-12)17-4-6-18-7-5-17/h1-3,8-10H,4-7H2
• InChIKey: YDRTVDBEEKWMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(pyridin-3-yl)pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 4-[6-(pyridin-3-yl)pyrimidin-4-yl]morpholine
• Synonyms: 4-(6-pyridin-3-ylpyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3009982
• LogD (pH = 7.4): 1.3485013
• Log P: 1.3491397
• Molar Refractivity: 69.1462 cm^3
• Polarizability: 27.058285 Å^3
• Polar Surface Area: 51.14 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: 0.97
• LOG S: -1.8
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2