4-[(2,4-Diaminopyrimidin-5-Yl)Methyl]Pyridine 1-Oxide
[CAS# 65873-75-8]

Identification

• Name: 4-[(2,4-Diaminopyrimidin-5-Yl)Methyl]Pyridine 1-Oxide
• Synonyms: 5-[(1-Oxido-4-Pyridin-1-Iumyl)Methyl]Pyrimidine-2,4-Diamine; [2-Amino-5-[(1-Oxidopyridin-1-Ium-4-Yl)Methyl]Pyrimidin-4-Yl]Amine; 2,4-Pyrimidinediamine, 5-(4-Pyridinylmethyl)-, N(Sup 5)-Oxide (9Ci)
• Molecular Formula: C₁₀H₁₁N₅O
• Molecular Weight: 217.23
• CAS Registry Number: 65873-75-8
• SMILES: C1=C(C(=NC(=N1)N)N)CC2=CC=[N+](C=C2)[O-]
• InChI: 1S/C10H11N5O/c11-9-8(6-13-10(12)14-9)5-7-1-3-15(16)4-2-7/h1-4,6H,5H2,(H4,11,12,13,14)
• InChIKey: MDWWQWFBXPYZCZ-UHFFFAOYSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 628.212°C at 760 mmHg (Cal.)
• Flash point: 333.731°C (Cal.)