1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2...
C15H19N5O
1792180-81-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 6.6687 2.3101 0.0 0
M  V30 2 C 1.3338 2.3101 0.0 0
M  V30 3 C 1.3338 0.7700 0.0 0
M  V30 4 O 0.0000 3.0801 0.0 0
M  V30 5 C 0.0000 0.0000 0.0 0
M  V30 6 C 1.3338 5.3901 0.0 0
M  V30 7 C 9.3360 2.3101 0.0 0
M  V30 8 C 8.0023 3.0801 0.0 0
M  V30 9 C 10.6697 3.0801 0.0 0
M  V30 10 C 9.6562 0.8037 0.0 0
M  V30 11 N 8.0023 4.6201 0.0 0
M  V30 12 N 10.6697 4.6201 0.0 0
M  V30 13 N 11.8142 2.0496 0.0 0
M  V30 14 C 11.1877 0.6427 0.0 0
M  V30 15 C 9.3360 5.3901 0.0 0
M  V30 16 C 5.3348 3.0801 0.0 0 CFG=2
M  V30 17 C 4.0012 2.3101 0.0 0
M  V30 18 C 5.3348 4.6201 0.0 0
M  V30 19 N 2.6675 3.0801 0.0 0
M  V30 20 C 4.0012 5.3901 0.0 0
M  V30 21 C 2.6675 4.6201 0.0 0 CFG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 8
M  V30 2 1 16 1 CFG=1
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 2 19
M  V30 6 2 3 5
M  V30 7 1 21 6 CFG=1
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 8 11
M  V30 12 2 9 12
M  V30 13 1 9 13
M  V30 14 2 10 14
M  V30 15 2 11 15
M  V30 16 1 12 15
M  V30 17 1 13 14
M  V30 18 1 16 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 1 20 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 16 21)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1792180-81-4

> <cas.index.name>
2-Propen-1-one, 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-

> <molecular.formula>
C15H19N5O

> <molecular.weight>
285.34

> <density.predicted>
1.272±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.03±0.50    Most Acidic Temp: 25 °C

$$$$
