N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(pyrimidin-2-yl)piperidin-4-amine

• ChemBase ID: 552838
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: c1(N2CCC(CC2)NCCc2nc(cc(n2)C)C)ncccn1
• Canonical SMILES: Cc1cc(C)nc(n1)CCNC1CCN(CC1)c1ncccn1
• InChI: InChI=1S/C17H24N6/c1-13-12-14(2)22-16(21-13)4-9-18-15-5-10-23(11-6-15)17-19-7-3-8-20-17/h3,7-8,12,15,18H,4-6,9-11H2,1-2H3
• InChIKey: BOOSOVGGNJLZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(pyrimidin-2-yl)piperidin-4-amine
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(pyrimidin-2-yl)piperidin-4-amine
• Synonyms: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.9873749
• LogD (pH = 7.4): -0.8779785
• Log P: 1.3132253
• Molar Refractivity: 91.9233 cm^3
• Polarizability: 34.621395 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: 1.87
• LOG S: -2.07
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5