[(2-tert-butylpyrimidin-5-yl)methyl](methyl)[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]amine

• ChemBase ID: 420487
• Molecular Formular: C19H25N5
• Molecular Mass: 323.4353
• Monoisotopic Mass: 323.21099583
• SMILES: c1(nc2c(n1C)cccc2)CN(Cc1cnc(nc1)C(C)(C)C)C
• Canonical SMILES: CN(Cc1nc2c(n1C)cccc2)Cc1cnc(nc1)C(C)(C)C
• InChI: InChI=1S/C19H25N5/c1-19(2,3)18-20-10-14(11-21-18)12-23(4)13-17-22-15-8-6-7-9-16(15)24(17)5/h6-11H,12-13H2,1-5H3
• InChIKey: LVDVSGRBWBHVTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-tert-butylpyrimidin-5-yl)methyl](methyl)[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]amine
• IUPAC Traditional name: [(2-tert-butylpyrimidin-5-yl)methyl](methyl)[(1-methyl-1,3-benzodiazol-2-yl)methyl]amine
• Synonyms: 1-(2-tert-butylpyrimidin-5-yl)-N-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8647554
• LogD (pH = 7.4): 3.6841514
• Log P: 3.716547
• Molar Refractivity: 97.3386 cm^3
• Polarizability: 38.588146 Å^3
• Polar Surface Area: 46.84 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: 3.02
• LOG S: -3.13
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5