4-cyclopropyl-6-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidine

• ChemBase ID: 661413
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: c1(cc(C2CC2)ncn1)N1CCC(c2ncon2)CC1
• Canonical SMILES: c1nc(cc(n1)C1CC1)N1CCC(CC1)c1nocn1
• InChI: InChI=1S/C14H17N5O/c1-2-10(1)12-7-13(16-8-15-12)19-5-3-11(4-6-19)14-17-9-20-18-14/h7-11H,1-6H2
• InChIKey: KCYPBDLCDNJMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidine
• IUPAC Traditional name: 4-cyclopropyl-6-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidine
• Synonyms: 4-cyclopropyl-6-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9036381
• LogD (pH = 7.4): 2.2187781
• Log P: 2.2247958
• Molar Refractivity: 76.4918 cm^3
• Polarizability: 27.533852 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.85
• LOG S: -3.05
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3