5-Butyl-1,3,6-Trimethyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
[CAS# 53681-26-8]

Identification

• Name: 5-Butyl-1,3,6-Trimethyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
• Synonyms: 5-Butyl-1,3,6-Trimethyl-7H-Pyrrolo[3,2-E]Pyrimidine-2,4-Quinone; 1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione, 5-Butyl-1,3,6-Trimethyl-; 5-Butyl-1,3,6-Trimethyl-1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione
• Molecular Formula: C₁₃H₁₉N₃O₂
• Molecular Weight: 249.31
• CAS Registry Number: 53681-26-8
• SMILES: C(C1=C([NH]C2=C1C(=O)N(C(=O)N2C)C)C)CCC
• InChI: 1S/C13H19N3O2/c1-5-6-7-9-8(2)14-11-10(9)12(17)16(4)13(18)15(11)3/h14H,5-7H2,1-4H3
• InChIKey: LDVYWVWRKISVMO-UHFFFAOYSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 431.805°C at 760 mmHg (Cal.)
• Flash point: 214.948°C (Cal.)