5-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 424050
• Molecular Formular: C18H26N6O3
• Molecular Mass: 374.43744
• Monoisotopic Mass: 374.20663872
• SMILES: c1(nc(no1)CCOC)C1N(C(=O)c2c(nc(nc2)N(C)C)C)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1C(=O)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C18H26N6O3/c1-12-13(11-19-18(20-12)23(2)3)17(25)24-9-6-5-7-14(24)16-21-15(22-27-16)8-10-26-4/h11,14H,5-10H2,1-4H3
• InChIKey: LYRVAKGBGNLREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-{2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}carbonyl)-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.4335512
• LogD (pH = 7.4): 1.4344958
• Log P: 1.4345078
• Molar Refractivity: 102.7804 cm^3
• Polarizability: 37.375816 Å^3
• Polar Surface Area: 97.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.42
• LOG S: -2.29
• Polar Surface Area: 97.48 Å^2
• Rotatable Bonds: 6