Home Fluorides 104048-92-2
104048-92-2,MFCD00192529
Catalog No.:AA003HBG
104048-92-2 | 4-(Trifluoromethyl);pyrimidin-2(1H);-one
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5g
98%
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$14.00
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25g
98%
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$50.00
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100g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HBG
Chemical Name:
4-(Trifluoromethyl);pyrimidin-2(1H);-one
CAS Number:
104048-92-2
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD00192529
IUPAC Name:
6-(trifluoromethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChI Key:
WCEBFEVZTGLOHC-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Synonyms
 
104048-92-2 
2-Hydroxy-4-(trifluoromethyl)pyrimidine 
Enamine_002404 
AC1LOH7T 
AC1Q4JFY 
ACMC-2098am 
KSC174K4P 
AC1Q799S 
SCHEMBL1967534 
4-(trifluoromethyl)-2-pyrimidol 
CTK0H4547 
CTK7H0282 
4-(trifluoromethyl)pyrimidin-2-ol 
KS-00000DYB 
DTXSID20361286 
WCEBFEVZTGLOHC-UHFFFAOYSA-N 
HMS1400N06 
HMS1768P22 
ACN-S003240 
ACT06640 
BCP21703 
CS-D0799 
4-trifluoromethyl-2-hydroxypyrimidine 
4-(trifluoromethyl)pyrimidin-2(1H)-one 
ANW-15020 
ANW-50128 
CH-405 
SBB017608 
WT2147 
ZINC12360665 
AKOS001012295 
AKOS005063546 
AC-7379 
ACN-000528 
2-Hydroxy-4-trifluoromethylpyrimidine 
AN-9064 
AS-5573 
CM10447 
CM10989 
DS-1472 
DS-3137 
MCULE-5908748930 
RP22672 
RTC-040238 
TRA0031808 
4-(Trifluoromethyl)-2-pyrimidinol 
VP50131 
6-(trifluoromethyl)pyrimidin-2(1H)-on 
4-(Trifluoromethyl)-2(1H)-pyrimidinone 
4-(Trifluoromethyl)pyrimidine-2(1H)-one 
AJ-61689 
AK-51328 
BP-13153 
BR-29766 
BR-51328 
HC210138 
MFCD00192529 
SC-00166 
AB0002544 
AB1004400 
DB-021185 
DB-032147 
ST2418056 
TC-040238 
4CH-010146 
AM20070690 
FT-0642553 
6-(trifluoromethyl)-1H-pyrimidin-2-one 
ST50950046 
TL80090592 
X0185 
EN300-36298 
2-Hydroxy-4-(trifluoromethyl)pyrimidine, 97% 
A12314 
B-6320 
4-(trifluoromethyl)-1,2-dihydropyrimidin-2-one 
J-509626 
S03-0118 
2(1H)-Pyrimidinone, 4-(trifluoromethyl)- 
Z56767356 
104048-92-2 2-Hydroxy-4-(trifluoromethyl)pyrimidine 
4-(Trifluoromethyl)-2(1H)-pyrimidinone; 4-(Trifluoromethyl)-2-pyrimidinol 
C5H3F3N2O 
ZINC01028017 
ACN-028157 
CID1240050 
R802 
C2922 
H1328 
PubChem7201 
2-Hydroxy-4-(trifluoromethyl)pyrimidine, 99% - 1G 1g 
N/A 
103-32-2 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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