N~4~-(3-Methyl-1H-Indazol-6-Yl)-N~2~-(3,4,5-Trimethoxyphenyl)-2,4-Pyrimidinediamine

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Formula C21H22N6O3
IUPAC Name n4-(3-methylindazol-1-ium-3a-id-6-yl)-n2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Molecular Mass 406.438 g·mol−1
Heat of Formation 41.1 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 469.56 Å 3
Surface Area 425.24 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (3-methyl-2h-indazol-6-yl)-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amine
  • n'-(3-methyl-2h-indazol-6-yl)-n-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
InChIKey SQQAPOSROFWHIB-UHFFFAOYSA-N
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