1-Hexyl-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
[CAS# 77917-01-2]

Identification

• Name: 1-Hexyl-4-[[4-(Pyrimidin-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
• Synonyms: 1-Hexyl-4-[[4-(2-Pyrimidinylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-Hexyl-4-[4-(Pyrimidin-2-Ylamino)Benzyl]Piperazine-2,3-Quinone; 2,3-Piperazinedione, 1-Hexyl-4-((4-(2-Pyrimidinylamino)Phenyl)Methyl)-
• Molecular Formula: C₂₁H₂₇N₅O₂
• Molecular Weight: 381.48
• CAS Registry Number: 77917-01-2
• SMILES: C1=CC(=CC=C1CN2C(C(N(CC2)CCCCCC)=O)=O)NC3=NC=CC=N3
• InChI: 1S/C21H27N5O2/c1-2-3-4-5-13-25-14-15-26(20(28)19(25)27)16-17-7-9-18(10-8-17)24-21-22-11-6-12-23-21/h6-12H,2-5,13-16H2,1H3,(H,22,23,24)
• InChIKey: PPCVRMHOVOHVJF-UHFFFAOYSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 562.37°C at 760 mmHg (Cal.)
• Flash point: 293.911°C (Cal.)