5-Methyl-6-[[(3,4,5-Trimethoxyphenyl)Amino]Methyl]Quinazoline-2,4-Diamine
[CAS 52128-35-5]

Identification

• Name: 5-Methyl-6-[[(3,4,5-Trimethoxyphenyl)Amino]Methyl]Quinazoline-2,4-Diamine
• Synonyms: (2,4-Diamino-5-Methyl-Quinazolin-6-Yl)Methyl-(3,4,5-Trimethoxyphenyl)Amine; 2,4-Quinazolinediamine, 5-Methyl-6-[[(3,4,5-Trimethoxyphenyl)Amino]Methyl]-; Nsc 249008
• Molecular Formula: C₁₉H₂₃N₅O₃
• Molecular Weight: 369.42
• CAS Registry Number: 52128-35-5
• SMILES: C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N
• InChI: 1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
• InChIKey: NOYPYLRCIDNJJB-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 647.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 345.1±34.3°C (Cal.)

References

• (1): A. Hempel, N. Camerman, D. Mastropaolo and A. Camerman. The antifolate trimetrexate: observation of the enzyme-binding conformation, Acta Cryst. (2000). C56, 1225-1227