5-[(3,4,5-Trimethoxyphenyl)Methyl]Pyrimidine-2,4-Diamine
[CAS# 8076-73-1]

Identification

• Name: 5-[(3,4,5-Trimethoxyphenyl)Methyl]Pyrimidine-2,4-Diamine
• Synonyms: 4-Amino-N-(5-Methylisoxazol-3-Yl)Benzenesulfonamide; 5-[(3,4,5-Trimethoxyphenyl)Methyl]Pyrimidine-2,4-Diamine; 4-Amino-N-(5-Methyl-3-Isoxazolyl)Benzenesulfonamide; 5-[(3,4,5-Trimethoxyphenyl)Methyl]Pyrimidine-2,4-Diamine; 4-Amino-N-(5-Methylisoxazol-3-Yl)Benzenesulfonamide; [2-Amino-5-(3,4,5-Trimethoxybenzyl)Pyrimidin-4-Yl]Amine
• Molecular Formula: C₂₄H₂₉N₇O₆S
• Molecular Weight: 543.60
• CAS Registry Number: 8076-73-1
• SMILES: C2=C([S](=O)(=O)NC1=NOC(=C1)C)C=CC(=C2)N.C3=C(C=C(OC)C(=C3OC)OC)CC4=CN=C(N=C4N)N
• InChI: 1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)
• InChIKey: WZRJTRPJURQBRM-UHFFFAOYSA-N

Properties

• Boiling point: 526°C at 760 mmHg (Cal.)
• Flash point: 271.9°C (Cal.)