4-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-(2-methylpropyl)morpholine

• ChemBase ID: 732765
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(N3CC(OCC3)CC(C)C)ncnc1nc(cc2C)C
• Canonical SMILES: CC(CC1OCCN(C1)c1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C17H24N4O/c1-11(2)7-14-9-21(5-6-22-14)17-15-12(3)8-13(4)20-16(15)18-10-19-17/h8,10-11,14H,5-7,9H2,1-4H3
• InChIKey: ZHKDQBUOLBAFTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-(2-methylpropyl)morpholine
• IUPAC Traditional name: 4-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-(2-methylpropyl)morpholine
• Synonyms: 4-(2-isobutylmorpholin-4-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3240588
• LogD (pH = 7.4): 3.331773
• Log P: 3.3318722
• Molar Refractivity: 89.7581 cm^3
• Polarizability: 33.844116 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.29
• LOG S: -3.35
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3