N2,N4-Bis(2-methyl-1H-indol-5-yl)-2,4-pyrimidinediamine
C22H20N6
1071098-42-4 Copyright (C) 2025 ACS
 28 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9109    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2458    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1566    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9099    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    0.2941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    2.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5772    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5772    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2447    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5783    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9120    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5794    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5794    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2467    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9131    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2467    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7114    2.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7114    0.2941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
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 27 28  1  0  0  0  0
M  END
> <cas.rn>
1071098-42-4

> <cas.index.name>
2,4-Pyrimidinediamine, N2,N4-bis(2-methyl-1H-indol-5-yl)-

> <molecular.formula>
C22H20N6

> <molecular.weight>
368.44

> <boiling.point.predicted>
711.031±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.388±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
17.481±0.30    Most Acidic Temp: 25 °C

$$$$
