N2-Methyl-N4-(2-pyrimidinylmethyl)-5-(6-quinolinyl)-7H-pyrrolo[2,3-d]pyrimidi...
C21H18N8
2407433-00-3 Copyright (C) 2024 ACS
 29 33  0  0  0  0  0  0  0  0999 V2000
    6.8668    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2016    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5353    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0559    7.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2005    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5341    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6824    9.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5341    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8678    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    9.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0304    6.6798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5330    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5330    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
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  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
> <cas.rn>
2407433-00-3

> <cas.index.name>
7H-Pyrrolo[2,3-d]pyrimidine-2,4-diamine, N2-methyl-N4-(2-pyrimidinylmethyl)-5-(6-quinolinyl)-

> <molecular.formula>
C21H18N8

> <molecular.weight>
382.42

> <density.predicted>
1.432±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.453±0.50    Most Acidic Temp: 25 °C

$$$$
