5-Methyl-6-{[(3,4,5-Trimethoxyphenyl)Amino]Methyl}-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C19H23N5O3
IUPAC Name 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
Molecular Mass 369.418 g·mol−1
Heat of Formation -191.2 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 431.81 Å 3
Surface Area 383.58 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diamino-5-methyl-quinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)amine
  • 2,4-diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline
  • 2,4-quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-
  • 2,4-quinazolinediamine, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-
  • 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine
  • 5-methyl-6-({[3,4,5-tris(methyloxy)phenyl]amino}methyl)quinazoline-2,4-diamine
  • 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine
  • 6-[((3,4,5-trimethoxyphenyl)amino)methyl]-5-methyl-2,4-quinazolinediamine
  • 82952-64-5 (d-glucuronate salt)
  • d06238
  • jb 11
  • jb-11
  • tmq
  • trimetrexate
  • trimetrexate (usan)
CAS Number(s)
  • 52128-35-5
InChIKey NOYPYLRCIDNJJB-UHFFFAOYSA-N
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