N-[1-(pyrazin-2-yl)propan-2-yl]-1-(pyrimidin-2-yl)piperidin-4-amine

• ChemBase ID: 545134
• Molecular Formular: C16H22N6
• Molecular Mass: 298.38608
• Monoisotopic Mass: 298.19059473
• SMILES: c1(N2CCC(NC(Cc3nccnc3)C)CC2)ncccn1
• Canonical SMILES: CC(Cc1nccnc1)NC1CCN(CC1)c1ncccn1
• InChI: InChI=1S/C16H22N6/c1-13(11-15-12-17-7-8-18-15)21-14-3-9-22(10-4-14)16-19-5-2-6-20-16/h2,5-8,12-14,21H,3-4,9-11H2,1H3
• InChIKey: QUWYLLRRUDJJRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrazin-2-yl)propan-2-yl]-1-(pyrimidin-2-yl)piperidin-4-amine
• IUPAC Traditional name: N-[1-(pyrazin-2-yl)propan-2-yl]-1-(pyrimidin-2-yl)piperidin-4-amine
• Synonyms: N-(1-methyl-2-pyrazin-2-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.7020898
• LogD (pH = 7.4): -1.825442
• Log P: 0.5045114
• Molar Refractivity: 86.1481 cm^3
• Polarizability: 32.932007 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.79
• LOG S: -1.04
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5