N-{1-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl}pyrimidin-2-amine

• ChemBase ID: 823737
• Molecular Formular: C20H23N7
• Molecular Mass: 361.44352
• Monoisotopic Mass: 361.20149377
• SMILES: c1(nc(c2c(nc(cc2)C)C)ccn1)N1CCC(Nc2ncccn2)CC1
• Canonical SMILES: Cc1ccc(c(n1)C)c1ccnc(n1)N1CCC(CC1)Nc1ncccn1
• InChI: InChI=1S/C20H23N7/c1-14-4-5-17(15(2)24-14)18-6-11-23-20(26-18)27-12-7-16(8-13-27)25-19-21-9-3-10-22-19/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,21,22,25)
• InChIKey: OHYWJGZVUXKYOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl}pyrimidin-2-amine
• IUPAC Traditional name: N-{1-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl}pyrimidin-2-amine
• Synonyms: N-{1-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl}pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.167869
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.4610248
• LogD (pH = 7.4): 1.9412104
• Log P: 1.9526452
• Molar Refractivity: 107.2123 cm^3
• Polarizability: 40.688354 Å^3
• Polar Surface Area: 79.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.1
• LOG S: -4.48
• Polar Surface Area: 79.72 Å^2
• Rotatable Bonds: 4