Icotidine
[CAS# 71351-79-6]

Identification

• Name: Icotidine
• Synonyms: 2-[4-(3-Methoxy-2-Pyridyl)Butylamino]-5-[(6-Methyl-3-Pyridyl)Methyl]-3H-Pyrimidin-4-One; 2-((4-(3-Methoxy-2-Pyridyl)Butyl)Amino)-5-((6-Methyl-3-Pyridyl)Methyl)-4(1H)-Pyrimidinone; 4(1H)-Pyrimidinone, 2-((4-(3-Methoxy-2-Pyridinyl)Butyl)Amino)-5-((6-Methyl-3-Pyridinyl)Methyl)-
• Molecular Formula: C₂₁H₂₅N₅O₂
• Molecular Weight: 379.46
• CAS Registry Number: 71351-79-6
• SMILES: C1=CC=NC(=C1OC)CCCCNC3=NC=C(CC2=CN=C(C=C2)C)C(=O)N3
• InChI: 1S/C21H25N5O2/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27)
• InChIKey: GJCSPRIRQYWXRW-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 565.8°C at 760 mmHg (Cal.)
• Flash point: 296°C (Cal.)