6-methoxy-1,3-dimethyl-5-(2-oxopentadecyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 191877
• Molecular Formular: C22H38N2O4
• Molecular Mass: 394.54812
• Monoisotopic Mass: 394.28315771
• SMILES: c1(c(n(c(=O)n(c1=O)C)C)OC)CC(=O)CCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCC(=O)Cc1c(OC)n(C)c(=O)n(c1=O)C
• InChI: InChI=1S/C22H38N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(25)17-19-20(26)23(2)22(27)24(3)21(19)28-4/h5-17H2,1-4H3
• InChIKey: RAGUSBBLNDPAQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,3-dimethyl-5-(2-oxopentadecyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-methoxy-1,3-dimethyl-5-(2-oxopentadecyl)pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164247787
• PubChem CID: 5091170

CALCULATED PROPERTIES

• Acid pKa: 11.389074
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2811637
• LogD (pH = 7.4): 5.28112
• Log P: 5.281164
• Molar Refractivity: 121.2049 cm^3
• Polarizability: 43.466827 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds