2-[2-(4-Pyrimidin-2-Ylpiperazin-1-Yl)Ethyl]-4,9-Dihydropyrido[3,4-b]Indole-1,3-Dione
[CAS# 184691-42-7]

Identification

• Name: 2-[2-(4-Pyrimidin-2-Ylpiperazin-1-Yl)Ethyl]-4,9-Dihydropyrido[3,4-b]Indole-1,3-Dione
• Synonyms: 2-[2-[4-(2-Pyrimidinyl)-1-Piperazinyl]Ethyl]-4,9-Dihydropyrido[3,4-B]Indole-1,3-Dione; 2-[2-(4-Pyrimidin-2-Ylpiperazin-1-Yl)Ethyl]-4,9-Dihydro-$B-Carboline-1,3-Quinone; 1H-Pyrido(3,4-B)Indole-1,3(2H)-Dione, 4,9-Dihydro-2-(2-(4-(2-Pyrimidinyl)-1-Piperazinyl)Ethyl)-
• Molecular Formula: C₂₁H₂₂N₆O₂
• Molecular Weight: 390.44
• CAS Registry Number: 184691-42-7
• SMILES: C1=CC=CC2=C1C3=C([NH]2)C(N(C(C3)=O)CCN4CCN(CC4)C5=NC=CC=N5)=O
• InChI: 1S/C21H22N6O2/c28-18-14-16-15-4-1-2-5-17(15)24-19(16)20(29)27(18)13-10-25-8-11-26(12-9-25)21-22-6-3-7-23-21/h1-7,24H,8-14H2
• InChIKey: YZFMDALAWOVLHC-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 700.736°C at 760 mmHg (Cal.)
• Flash point: 377.592°C (Cal.)