N,2-dimethyl-6-(piperidin-4-yl)-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrimidin-4-amine

• ChemBase ID: 603785
• Molecular Formular: C17H26N6O
• Molecular Mass: 330.42794
• Monoisotopic Mass: 330.21680948
• SMILES: n1c(noc1CN(c1nc(nc(c1)C1CCNCC1)C)C)C(C)C
• Canonical SMILES: Cc1nc(cc(n1)C1CCNCC1)N(Cc1onc(n1)C(C)C)C
• InChI: InChI=1S/C17H26N6O/c1-11(2)17-21-16(24-22-17)10-23(4)15-9-14(19-12(3)20-15)13-5-7-18-8-6-13/h9,11,13,18H,5-8,10H2,1-4H3
• InChIKey: LOLZPDKTSDIPLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-6-(piperidin-4-yl)-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrimidin-4-amine
• IUPAC Traditional name: N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethyl-6-(piperidin-4-yl)pyrimidin-4-amine
• Synonyms: N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethyl-6-piperidin-4-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.4164864
• LogD (pH = 7.4): 0.518383
• Log P: 3.0157008
• Molar Refractivity: 95.4934 cm^3
• Polarizability: 35.209866 Å^3
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.61
• LOG S: -1.98
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 5