1-Pyrazin-2-Yl-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
[CAS# 77917-35-2]

Identification

• Name: 1-Pyrazin-2-Yl-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
• Synonyms: 1-(2-Pyrazinyl)-4-[[4-(2-Pyrimidinylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-Pyrazin-2-Yl-4-[4-(Pyrimidin-2-Ylamino)Benzyl]Piperazine-2,3-Quinone; 1-Pyrazinyl-4-((4-(2-Pyrimidinylamino)Phenyl)Methyl)-2,3-Piperazinedione
• Molecular Formula: C₁₉H₁₇N₇O₂
• Molecular Weight: 375.39
• CAS Registry Number: 77917-35-2
• SMILES: C1=CC(=CC=C1CN2C(C(N(CC2)C3=NC=CN=C3)=O)=O)NC4=NC=CC=N4
• InChI: 1S/C19H17N7O2/c27-17-18(28)26(16-12-20-8-9-21-16)11-10-25(17)13-14-2-4-15(5-3-14)24-19-22-6-1-7-23-19/h1-9,12H,10-11,13H2,(H,22,23,24)
• InChIKey: KXVRBMYLZJFTAO-UHFFFAOYSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 616.775°C at 760 mmHg (Cal.)
• Flash point: 326.814°C (Cal.)