2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)acetamide

• ChemBase ID: 651648
• Molecular Formular: C19H19N5O4
• Molecular Mass: 381.38526
• Monoisotopic Mass: 381.14370411
• SMILES: [nH]1c(=O)n(cc(c1=O)C)CC(=O)NCc1c(Oc2cnc(cc2)C)nccc1
• Canonical SMILES: O=C(Cn1cc(C)c(=O)[nH]c1=O)NCc1cccnc1Oc1ccc(nc1)C
• InChI: InChI=1S/C19H19N5O4/c1-12-10-24(19(27)23-17(12)26)11-16(25)22-8-14-4-3-7-20-18(14)28-15-6-5-13(2)21-9-15/h3-7,9-10H,8,11H2,1-2H3,(H,22,25)(H,23,26,27)
• InChIKey: JNTVFLSWJZVWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)acetamide
• IUPAC Traditional name: 2-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)acetamide
• Synonyms: 2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.001409
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.036897022
• LogD (pH = 7.4): 0.1707718
• Log P: 0.17389546
• Molar Refractivity: 99.4712 cm^3
• Polarizability: 38.077938 Å^3
• Polar Surface Area: 113.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.11
• LOG S: -3.2
• Polar Surface Area: 118.97 Å^2
• Rotatable Bonds: 6