{[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl}(methyl)[(3-methylpyridin-4-yl)methyl]amine

• ChemBase ID: 468675
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(c2c(OC)cccc2)ncc(cn1)CN(Cc1c(cncc1)C)C
• Canonical SMILES: COc1ccccc1c1ncc(cn1)CN(Cc1ccncc1C)C
• InChI: InChI=1S/C20H22N4O/c1-15-10-21-9-8-17(15)14-24(2)13-16-11-22-20(23-12-16)18-6-4-5-7-19(18)25-3/h4-12H,13-14H2,1-3H3
• InChIKey: HCTOERQCBOAHHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl}(methyl)[(3-methylpyridin-4-yl)methyl]amine
• IUPAC Traditional name: {[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl}(methyl)[(3-methylpyridin-4-yl)methyl]amine
• Synonyms: 1-[2-(2-methoxyphenyl)pyrimidin-5-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2859629
• LogD (pH = 7.4): 2.8555279
• Log P: 3.1258397
• Molar Refractivity: 110.6362 cm^3
• Polarizability: 38.867622 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.64
• LOG S: -1.58
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 6