2-Benzylamino-4-(4-Methylpiperazino)-5-(Methylthio)-6-Chloropyrimidine
[CAS# 59717-63-4]

Identification

• Name: 2-Benzylamino-4-(4-Methylpiperazino)-5-(Methylthio)-6-Chloropyrimidine
• Synonyms: 4-Chloro-6-(4-Methyl-1-Piperazinyl)-5-(Methylthio)-N-(Phenylmethyl)-2-Pyrimidinamine; Benzyl-[4-Chloro-6-(4-Methylpiperazin-1-Yl)-5-(Methylthio)Pyrimidin-2-Yl]Amine; 2-Pyrimidinamine, 4-Chloro-6-(4-Methyl-1-Piperazinyl)-5-(Methylthio)-N-(Phenylmethyl)-
• Molecular Formula: C₁₇H₂₂ClN₅S
• Molecular Weight: 363.91
• CAS Registry Number: 59717-63-4
• SMILES: C1=CC=CC=C1CNC2=NC(=C(SC)C(=N2)Cl)N3CCN(C)CC3
• InChI: 1S/C17H22ClN5S/c1-22-8-10-23(11-9-22)16-14(24-2)15(18)20-17(21-16)19-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20,21)
• InChIKey: YTXNVGNLURBWAL-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 543.947°C at 760 mmHg (Cal.)
• Flash point: 282.769°C (Cal.)