5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C8H5F4N3O — CID 162377168

IUPAC5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCOc1nc2nccn2c(F)c1C(F)(F)F
InChIInChI=1S/C8H5F4N3O/c1-16-6-4(8(10,11)12)5(9)15-3-2-13-7(15)14-6/h2-3H,1H3
InChIKeyLYVQVALAYMTOPA-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.90
Rot. Bonds1

About 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine

5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 162377168) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID162377168
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCOc1nc2nccn2c(F)c1C(F)(F)F
InChIInChI=1S/C8H5F4N3O/c1-16-6-4(8(10,11)12)5(9)15-3-2-13-7(15)14-6/h2-3H,1H3
InChIKeyLYVQVALAYMTOPA-UHFFFAOYSA-N
XLogP1.90
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-Fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
CID 156702028
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
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
7-Fluoro-5-methoxy-6-(trifluoromethyl)triazolo[1,5-a]pyrimidine
CID 168796201
5-Fluoro-7-methoxy-8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-8-ium
CID 168796202
4,6-Dimethoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
CID 178173670

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 162377168) is 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine is COc1nc2nccn2c(F)c1C(F)(F)F.
What is the InChIKey of 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is LYVQVALAYMTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c1-16-6-4(8(10,11)12)5(9)15-3-2-13-7(15)14-6/h2-3H,1H3.
What are the key properties of 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 235.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 162377168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).