N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-methylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 697530
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c1(nc(nc2c1cccn2)C)NCc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1CNc1nc(C)nc2c1cccn2
• InChI: InChI=1S/C15H18N6O/c1-11-19-14-13(4-3-5-17-14)15(20-11)18-9-12-8-16-10-21(12)6-7-22-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,18,19,20)
• InChIKey: LXQAOWFISZGOJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-methylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-2-methylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-methylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.621344
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.24601197
• LogD (pH = 7.4): 0.77692527
• Log P: 0.8116392
• Molar Refractivity: 86.7332 cm^3
• Polarizability: 31.773573 Å^3
• Polar Surface Area: 77.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.87
• LOG S: -2.25
• Polar Surface Area: 77.75 Å^2
• Rotatable Bonds: 6