Pyrimidine
C4H4N2
289-95-2 Copyright (C) 2023 ACS
  6  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    1.3337    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
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <cas.rn>
289-95-2

> <cas.index.name>
Pyrimidine

> <molecular.formula>
C4H4N2

> <molecular.weight>
80.09

> <melting.point.experimental>
22 °C

> <boiling.point.experimental>
123.8 °C

> <density.predicted>
1.055±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
1.78±0.10    Most Basic Temp: 25 °C

$$$$
