1-(Phenylmethyl)-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
[CAS# 77916-97-3]

Identification

• Name: 1-(Phenylmethyl)-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
• Synonyms: 1-(Phenylmethyl)-4-[[4-(2-Pyrimidinylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-(Benzyl)-4-[4-(Pyrimidin-2-Ylamino)Benzyl]Piperazine-2,3-Quinone; 1-(Phenylmethyl)-4-((4-(2-Pyrimidinylamino)Phenyl)Methyl)-2,3-Piperazinedione
• Molecular Formula: C₂₂H₂₁N₅O₂
• Molecular Weight: 387.44
• CAS Registry Number: 77916-97-3
• SMILES: C1=CC(=CC=C1CN2C(C(N(CC2)CC3=CC=CC=C3)=O)=O)NC4=NC=CC=N4
• InChI: 1S/C22H21N5O2/c28-20-21(29)27(14-13-26(20)15-17-5-2-1-3-6-17)16-18-7-9-19(10-8-18)25-22-23-11-4-12-24-22/h1-12H,13-16H2,(H,23,24,25)
• InChIKey: ZCLGFADSFCRJBR-UHFFFAOYSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 608.58°C at 760 mmHg (Cal.)
• Flash point: 321.858°C (Cal.)