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
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Synonyms
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- (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
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InChIKey |
SQQAPOSROFWHIB-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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