1-[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

• ChemBase ID: 721675
• Molecular Formular: C19H30N6O2
• Molecular Mass: 374.4805
• Monoisotopic Mass: 374.24302423
• SMILES: n1c(N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)cc(nc1N)OC
• Canonical SMILES: COc1cc(nc(n1)N)N1CCC(CC1)N1CCCC(C1)C(=O)NC1CC1
• InChI: InChI=1S/C19H30N6O2/c1-27-17-11-16(22-19(20)23-17)24-9-6-15(7-10-24)25-8-2-3-13(12-25)18(26)21-14-4-5-14/h11,13-15H,2-10,12H2,1H3,(H,21,26)(H2,20,22,23)
• InChIKey: WRAANZFEZRNRDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• Synonyms: 1'-(2-amino-6-methoxypyrimidin-4-yl)-N-cyclopropyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.471997
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -3.4148443
• LogD (pH = 7.4): -0.97394794
• Log P: 1.1770054
• Molar Refractivity: 106.4966 cm^3
• Polarizability: 39.690487 Å^3
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.16
• LOG S: -2.92
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 5