6-(methoxymethyl)-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrimidin-4-amine

• ChemBase ID: 752276
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c1(ncnc(c1)COC)NC(Cc1ncccc1C)C
• Canonical SMILES: COCc1ncnc(c1)NC(Cc1ncccc1C)C
• InChI: InChI=1S/C15H20N4O/c1-11-5-4-6-16-14(11)7-12(2)19-15-8-13(9-20-3)17-10-18-15/h4-6,8,10,12H,7,9H2,1-3H3,(H,17,18,19)
• InChIKey: ULOKCHRCLOWXAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methoxymethyl)-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(methoxymethyl)-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrimidin-4-amine
• Synonyms: 6-(methoxymethyl)-N-[1-methyl-2-(3-methylpyridin-2-yl)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.334614
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.337179
• LogD (pH = 7.4): 1.8176844
• Log P: 1.8295015
• Molar Refractivity: 80.3674 cm^3
• Polarizability: 29.951391 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.69
• LOG S: -1.02
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6