1-[(4-Nitrophenyl)Methyl]-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
[CAS# 77917-22-7]

Identification

• Name: 1-[(4-Nitrophenyl)Methyl]-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
• Synonyms: 1-[(4-Nitrophenyl)Methyl]-4-[[4-(2-Pyrimidinylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-(4-Nitrobenzyl)-4-[4-(Pyrimidin-2-Ylamino)Benzyl]Piperazine-2,3-Quinone; 1-((4-Nitrophenyl)Methyl)-4-((4-(2-Pyrimidinylamino)Phenyl)Methyl)-2,3-Piperazinedione
• Molecular Formula: C₂₂H₂₀N₆O₄
• Molecular Weight: 432.44
• CAS Registry Number: 77917-22-7
• SMILES: C1=CC(=CC=C1CN2C(C(N(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])=O)=O)NC4=NC=CC=N4
• InChI: 1S/C22H20N6O4/c29-20-21(30)27(15-17-4-8-19(9-5-17)28(31)32)13-12-26(20)14-16-2-6-18(7-3-16)25-22-23-10-1-11-24-22/h1-11H,12-15H2,(H,23,24,25)
• InChIKey: JJJKZKRFLJXTQH-UHFFFAOYSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 678.297°C at 760 mmHg (Cal.)
• Flash point: 364.021°C (Cal.)