6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 570596
• Molecular Formular: C16H24N6O2
• Molecular Mass: 332.40076
• Monoisotopic Mass: 332.19607404
• SMILES: n1c(nc(cc1N(CCc1nc(on1)C)C)CC)N1CCOCC1
• Canonical SMILES: CCc1cc(nc(n1)N1CCOCC1)N(CCc1noc(n1)C)C
• InChI: InChI=1S/C16H24N6O2/c1-4-13-11-15(19-16(18-13)22-7-9-23-10-8-22)21(3)6-5-14-17-12(2)24-20-14/h11H,4-10H2,1-3H3
• InChIKey: GUSZJRUGHXFOKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: 6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.99612635
• LogD (pH = 7.4): 2.3055775
• Log P: 2.6303647
• Molar Refractivity: 94.0114 cm^3
• Polarizability: 33.72268 Å^3
• Polar Surface Area: 80.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.67
• LOG S: -3.05
• Polar Surface Area: 80.41 Å^2
• Rotatable Bonds: 6