5'-Demethylpiritrexim
[CAS# 118252-38-3]

Identification

• Name: 5'-Demethylpiritrexim
• Synonyms: 3-[(2,4-Diamino-5-Methyl-Pyrido[5,6-E]Pyrimidin-6-Yl)Methyl]-4-Methoxy-Phenol; 3-[(2,4-Diamino-5-Methyl-6-Pyrido[5,6-E]Pyrimidinyl)Methyl]-4-Methoxyphenol; Phenol, 3-((2,4-Diamino-5-Methylpyrido(2,3-D)Pyrimidin-6-Yl)Methyl)-4-Methoxy-
• Molecular Formula: C₁₆H₁₇N₅O₂
• Molecular Weight: 311.34
• CAS Registry Number: 118252-38-3
• SMILES: C1=NC3=C(C(=C1CC2=CC(=CC=C2OC)O)C)C(=NC(=N3)N)N
• InChI: 1S/C16H17N5O2/c1-8-10(5-9-6-11(22)3-4-12(9)23-2)7-19-15-13(8)14(17)20-16(18)21-15/h3-4,6-7,22H,5H2,1-2H3,(H4,17,18,19,20,21)
• InChIKey: SYIGACSDZHBYAQ-UHFFFAOYSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 646.127°C at 760 mmHg (Cal.)
• Flash point: 344.566°C (Cal.)