N4-[2,2′-Bipyridin]-3-yl-N2-[3-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2,4-...
C26H28N8O
1628870-27-8 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  35 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 14.6300 1.3336 0.0 0
M  V30 2 C 13.8600 0.0000 0.0 0
M  V30 3 N 10.0100 4.0011 0.0 0
M  V30 4 C 20.7900 4.0011 0.0 0
M  V30 5 N 5.3900 6.6684 0.0 0
M  V30 6 C 14.6300 4.0011 0.0 0
M  V30 7 C 13.8600 2.6673 0.0 0
M  V30 8 C 13.8600 5.3347 0.0 0
M  V30 9 C 12.3200 2.6673 0.0 0
M  V30 10 C 12.3200 5.3347 0.0 0
M  V30 11 C 11.5500 4.0011 0.0 0
M  V30 12 N 16.1700 4.0011 0.0 0
M  V30 13 C 16.9400 5.3347 0.0 0
M  V30 14 C 16.9400 2.6673 0.0 0
M  V30 15 C 18.4800 5.3347 0.0 0
M  V30 16 C 18.4800 2.6674 0.0 0
M  V30 17 N 19.2500 4.0011 0.0 0
M  V30 18 C 9.2400 5.3347 0.0 0
M  V30 19 N 7.7000 5.3347 0.0 0
M  V30 20 N 10.0100 6.6684 0.0 0
M  V30 21 C 6.9300 6.6684 0.0 0
M  V30 22 C 9.2400 8.0021 0.0 0
M  V30 23 C 7.7000 8.0021 0.0 0
M  V30 24 C 4.6200 8.0021 0.0 0
M  V30 25 C 3.0800 8.0021 0.0 0
M  V30 26 C 5.3900 9.3358 0.0 0
M  V30 27 N 2.3100 9.3358 0.0 0
M  V30 28 C 4.6200 10.6694 0.0 0
M  V30 29 C 3.0800 10.6694 0.0 0
M  V30 30 C 2.3100 6.6684 0.0 0
M  V30 31 C 0.7700 6.6684 0.0 0
M  V30 32 N 3.0800 5.3347 0.0 0
M  V30 33 C 0.0000 5.3347 0.0 0
M  V30 34 C 2.3100 4.0011 0.0 0
M  V30 35 C 0.7700 4.0011 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 7
M  V30 3 1 3 11
M  V30 4 1 3 18
M  V30 5 1 4 17
M  V30 6 1 5 21
M  V30 7 1 5 24
M  V30 8 2 6 7
M  V30 9 1 6 8
M  V30 10 1 6 12
M  V30 11 1 7 9
M  V30 12 2 8 10
M  V30 13 2 9 11
M  V30 14 1 10 11
M  V30 15 1 12 13
M  V30 16 1 12 14
M  V30 17 1 13 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 1 16 17
M  V30 21 1 18 19
M  V30 22 2 18 20
M  V30 23 2 19 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 23
M  V30 27 2 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 25 30
M  V30 31 2 26 28
M  V30 32 2 27 29
M  V30 33 1 28 29
M  V30 34 2 30 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 2 32 34
M  V30 38 2 33 35
M  V30 39 1 34 35
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1628870-27-8

> <cas.index.name>
2,4-Pyrimidinediamine, N4-[2,2′-bipyridin]-3-yl-N2-[3-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-

> <molecular.formula>
C26H28N8O

> <molecular.weight>
468.55

> <boiling.point.predicted>
701.3±70.0 °C    Press: 760 Torr

> <density.predicted>
1.276±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.76±0.42    Most Basic Temp: 25 °C

$$$$
