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1-(5-?????)???

1-(5-?????)???
1-(5-?????)??? ??? ???
?? ??:
10325-70-9
???:
1-(5-?????)???
???(??):
1-(5-?????)???
???:
1-(5-Pyrimidinyl)ethanone
???(??):
5-Acetylpyrimidine;1-(Pyrimidin-5-yl)ethan-1-one;1-(pyrimidin-5-yl)ethanone;1-(Pyrimidin-5-yl);5-EthanoylpyriMidine;5-Acetylpyrimidine 98%;1-(5-Pyrimidinyl)ethanone;Ethanone,1-(5-pyrimidinyl)-;1-(pyrimidine-5-yl)ethane-1-one;Ethanone, 1-(5-pyrimidinyl)- (9CI)
CBNumber:
CB81012442
???:
C6H6N2O
??? ??:
122.12
MOL ??:
10325-70-9.mol

1-(5-?????)??? ??

???
87-88 °C
?? ?
70 °C(Press: 2 Torr)
??
1.136
???
92.1℃
?? ??
under inert gas (nitrogen or Argon) at 2-8°C
??? ??
??
??? ??
??? ??
?? ?? (pKa)
1.03±0.10(Predicted)
??
?? ??
InChI
InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3
InChIKey
COTYNDRSENVEFI-UHFFFAOYSA-N
SMILES
C(=O)(C1=CN=CN=C1)C
NIST
5-Acetylpyrimidine(10325-70-9)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????? 24/25
HS ?? 29335990
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H332 ???? ??? ?? ?? ?? ?? ?? 4 ?? GHS hazard pictograms P261, P271, P304+P340, P312
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

1-(5-?????)??? C??? ??, ??, ??

??

5-Acetylpyrimidine is a substituted pyrimidine used in the study for prediction of relative potency of ketone protease inhibitors using molecular orbital theory.

1-(5-?????)??? ?? ?? ? ???

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1-(5-?????)??? ?? ??

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