1-(6-methyl-2-propylpyrimidin-4-yl)-N-[1-(pyridin-3-yl)propan-2-yl]piperidin-4-amine

• ChemBase ID: 519580
• Molecular Formular: C21H31N5
• Molecular Mass: 353.50434
• Monoisotopic Mass: 353.25794602
• SMILES: c1(nc(nc(c1)C)CCC)N1CCC(NC(Cc2cnccc2)C)CC1
• Canonical SMILES: CCCc1nc(cc(n1)C)N1CCC(CC1)NC(Cc1cccnc1)C
• InChI: InChI=1S/C21H31N5/c1-4-6-20-24-17(3)14-21(25-20)26-11-8-19(9-12-26)23-16(2)13-18-7-5-10-22-15-18/h5,7,10,14-16,19,23H,4,6,8-9,11-13H2,1-3H3
• InChIKey: YNALJASMBVEMEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methyl-2-propylpyrimidin-4-yl)-N-[1-(pyridin-3-yl)propan-2-yl]piperidin-4-amine
• IUPAC Traditional name: 1-(6-methyl-2-propylpyrimidin-4-yl)-N-[1-(pyridin-3-yl)propan-2-yl]piperidin-4-amine
• Synonyms: 1-(6-methyl-2-propylpyrimidin-4-yl)-N-(1-methyl-2-pyridin-3-ylethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1741838
• LogD (pH = 7.4): 0.7601484
• Log P: 3.4565144
• Molar Refractivity: 107.6941 cm^3
• Polarizability: 41.0442 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.54
• LOG S: -1.64
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 7