4,5-dimethyl-6-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidine

• ChemBase ID: 638154
• Molecular Formular: C20H24N6
• Molecular Mass: 348.44476
• Monoisotopic Mass: 348.2062448
• SMILES: c1(c(c(ncn1)C)C)N1CCC(c2n(ccn2)Cc2ncccc2)CC1
• Canonical SMILES: Cc1c(C)ncnc1N1CCC(CC1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C20H24N6/c1-15-16(2)23-14-24-19(15)25-10-6-17(7-11-25)20-22-9-12-26(20)13-18-5-3-4-8-21-18/h3-5,8-9,12,14,17H,6-7,10-11,13H2,1-2H3
• InChIKey: QMVNXLPVIZPPJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-6-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidine
• IUPAC Traditional name: 4,5-dimethyl-6-{4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyrimidine
• Synonyms: 4,5-dimethyl-6-{4-[1-(2-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9648893
• LogD (pH = 7.4): 2.3454149
• Log P: 2.483274
• Molar Refractivity: 103.119 cm^3
• Polarizability: 38.468285 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.36
• LOG S: -1.6
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4