[(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]amine

• ChemBase ID: 687139
• Molecular Formular: C22H30N4
• Molecular Mass: 350.5004
• Monoisotopic Mass: 350.24704698
• SMILES: N1(Cc2c(C1)ccc(c2)CN(Cc1cnc(nc1)C1CCCCC1)C)C
• Canonical SMILES: CN(Cc1ccc2c(c1)CN(C2)C)Cc1cnc(nc1)C1CCCCC1
• InChI: InChI=1S/C22H30N4/c1-25(13-17-8-9-20-15-26(2)16-21(20)10-17)14-18-11-23-22(24-12-18)19-6-4-3-5-7-19/h8-12,19H,3-7,13-16H2,1-2H3
• InChIKey: HWPBSYRZOFNTAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]amine
• IUPAC Traditional name: [(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]amine
• Synonyms: 1-(2-cyclohexylpyrimidin-5-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.010856447
• LogD (pH = 7.4): 3.1111624
• Log P: 3.878028
• Molar Refractivity: 108.8015 cm^3
• Polarizability: 41.7722 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.9
• LOG S: -3.22
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5