2-Propen-1-one, 1-[(3R)-3-[3-(4-amino-2-pyrimidinyl)-5-chlorophenyl]-4-morpho...
C17H17ClN4O2
3034880-93-5 Copyright (C) 2025 ACS
 24 26  0  0  1  0  0  0  0  0999 V2000
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    8.0021    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  5 17  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <cas.rn>
3034880-93-5

> <cas.index.name>
2-Propen-1-one, 1-[(3R)-3-[3-(4-amino-2-pyrimidinyl)-5-chlorophenyl]-4-morpholinyl]-

> <molecular.formula>
C17H17ClN4O2

> <molecular.weight>
344.80

> <boiling.point.predicted>
529.845±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.318±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.041±0.10    Most Basic Temp: 25 °C

$$$$
