6-methyl-5-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 707577
• Molecular Formular: C14H16N2O5
• Molecular Mass: 292.28724
• Monoisotopic Mass: 292.10592162
• SMILES: c1(c(=O)[nH]c(=O)[nH]c1C)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(OC)c(OC)ccc1c1c(C)[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C14H16N2O5/c1-7-10(13(17)16-14(18)15-7)8-5-6-9(19-2)12(21-4)11(8)20-3/h5-6H,1-4H3,(H2,15,16,17,18)
• InChIKey: RQTCZUZHGSRALB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-methyl-5-(2,3,4-trimethoxyphenyl)-1,3-dihydropyrimidine-2,4-dione
• Synonyms: 6-methyl-5-(2,3,4-trimethoxyphenyl)pyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.895794
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.54183847
• LogD (pH = 7.4): 0.540487
• Log P: 0.5418557
• Molar Refractivity: 75.6301 cm^3
• Polarizability: 28.684355 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.01
• LOG S: -2.64
• Polar Surface Area: 93.41 Å^2
• Rotatable Bonds: 4