5-Butyl-5-(2-pentanyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
[CAS# 67050-48-0]

Identification

• Name: 5-Butyl-5-(2-pentanyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
• Synonyms: barbituric acid, 5-butyl-5-(1-methylbutyl)-
• Molecular Formula: C₁₃H₂₂N₂O₃
• Molecular Weight: 254.33
• CAS Registry Number: 67050-48-0
• SMILES: CCCCC1(C(=O)NC(=O)NC1=O)C(C)CCC
• InChI: 1S/C13H22N2O3/c1-4-6-8-13(9(3)7-5-2)10(16)14-12(18)15-11(13)17/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)
• InChIKey: XSVYJAHKZAXRAY-UHFFFAOYSA-N

Properties

• Density: 1.05g/cm³ (Cal.)