5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium

C9H8F4N3O+ — CID 168796202

IUPAC5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium
SMILESCOc1c(C(F)(F)F)c(F)n2ccnc2[n+]1C
InChIInChI=1S/C9H8F4N3O/c1-15-7(17-2)5(9(11,12)13)6(10)16-4-3-14-8(15)16/h3-4H,1-2H3/q+1
InChIKeyFUCCGALOFNYGII-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.33
Rot. Bonds1

About 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium

5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium (PubChem CID 168796202) has the molecular formula C9H8F4N3O+ and a molecular weight of 250.17 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium.

Molecular Properties

Compound Name5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium
PubChem CID168796202
Molecular FormulaC9H8F4N3O+
Molecular Weight250.17 g/mol
Exact Mass250.06
IUPAC Name5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium
SMILESCOc1c(C(F)(F)F)c(F)n2ccnc2[n+]1C
InChIInChI=1S/C9H8F4N3O/c1-15-7(17-2)5(9(11,12)13)6(10)16-4-3-14-8(15)16/h3-4H,1-2H3/q+1
InChIKeyFUCCGALOFNYGII-UHFFFAOYSA-N
XLogP1.33
TPSA30.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 4-(1H-imidazol-1-yl)-6-methoxy-
CID 3087488
5,7-Dimethoxyimidazo[1,2-C]pyrimidine
CID 13394199
4-Imidazol-1-yl-5-methyl-6-(3,4,4,4-tetrafluorobutoxy)pyrimidine
CID 70842856
4-(2,2,3,4,4,4-Hexafluorobutoxy)-6-imidazol-1-yl-5-methylpyrimidine
CID 87547915
4-Fluoro-6-methoxy-2-(triazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 156414773
2-(5-Chloro-1-methylimidazol-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 156865186
4-Fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 156865187
5-Fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 162377168
4-Fluoro-6-methoxy-2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)pyrimidine
CID 168116144
2-(1,2-Dimethylimidazol-4-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 168116146
4,6-Dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 178173670
4-methoxy-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrimidin-2-amine
CID 53542189

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium?
The IUPAC name of 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium (CID 168796202) is 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium.
What is the SMILES notation for 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium?
The canonical SMILES for 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium is COc1c(C(F)(F)F)c(F)n2ccnc2[n+]1C.
What is the InChIKey of 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium?
The InChIKey is FUCCGALOFNYGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N3O/c1-15-7(17-2)5(9(11,12)13)6(10)16-4-3-14-8(15)16/h3-4H,1-2H3/q+1.
What are the key properties of 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium?
5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium has a molecular weight of 250.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium is sourced from PubChem (CID 168796202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).