4-methyl-6-{4-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine

• ChemBase ID: 736718
• Molecular Formular: C19H23N7
• Molecular Mass: 349.43282
• Monoisotopic Mass: 349.20149377
• SMILES: n1c(N2CCC(c3n(Cc4cnccc4)ccn3)CC2)cc(nc1N)C
• Canonical SMILES: Cc1cc(nc(n1)N)N1CCC(CC1)c1nccn1Cc1cccnc1
• InChI: InChI=1S/C19H23N7/c1-14-11-17(24-19(20)23-14)25-8-4-16(5-9-25)18-22-7-10-26(18)13-15-3-2-6-21-12-15/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H2,20,23,24)
• InChIKey: UPDIDHNPOVDVEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-6-{4-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
• IUPAC Traditional name: 4-methyl-6-{4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
• Synonyms: 4-methyl-6-{4-[1-(3-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.022736
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2184237
• LogD (pH = 7.4): 0.8993396
• Log P: 1.7382407
• Molar Refractivity: 103.2464 cm^3
• Polarizability: 37.844257 Å^3
• Polar Surface Area: 85.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -1.31
• Polar Surface Area: 85.75 Å^2
• Rotatable Bonds: 4