N-[3-(furan-2-yl)propyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine

• ChemBase ID: 315301
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: c1(nc(nc(c1)C)CCC)N1CCC(CC1)NCCCc1occc1
• Canonical SMILES: CCCc1nc(cc(n1)C)N1CCC(CC1)NCCCc1ccco1
• InChI: InChI=1S/C20H30N4O/c1-3-6-19-22-16(2)15-20(23-19)24-12-9-17(10-13-24)21-11-4-7-18-8-5-14-25-18/h5,8,14-15,17,21H,3-4,6-7,9-13H2,1-2H3
• InChIKey: VDYFDODVFZCFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine
• Synonyms: N-[3-(2-furyl)propyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0202018
• LogD (pH = 7.4): 0.8514842
• Log P: 3.6096826
• Molar Refractivity: 102.5781 cm^3
• Polarizability: 38.79747 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.89
• LOG S: -3.16
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 8