3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C12H7F4N5S — CID 139344036

IUPAC3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1nc(-c2cnc3cnc(C(F)(F)F)cn23)ncc1F
InChIInChI=1S/C12H7F4N5S/c1-22-11-6(13)2-19-10(20-11)7-3-18-9-4-17-8(5-21(7)9)12(14,15)16/h2-5H,1H3
InChIKeyUMDPCLBUWHEBIY-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.07
Rot. Bonds2

About 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139344036) has the molecular formula C12H7F4N5S and a molecular weight of 329.28 g/mol. Its IUPAC name is 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139344036
Molecular FormulaC12H7F4N5S
Molecular Weight329.28 g/mol
Exact Mass329.04
IUPAC Name3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1nc(-c2cnc3cnc(C(F)(F)F)cn23)ncc1F
InChIInChI=1S/C12H7F4N5S/c1-22-11-6(13)2-19-10(20-11)7-3-18-9-4-17-8(5-21(7)9)12(14,15)16/h2-5H,1H3
InChIKeyUMDPCLBUWHEBIY-UHFFFAOYSA-N
XLogP3.07
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139344036) is 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CSc1nc(-c2cnc3cnc(C(F)(F)F)cn23)ncc1F.
What is the InChIKey of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is UMDPCLBUWHEBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N5S/c1-22-11-6(13)2-19-10(20-11)7-3-18-9-4-17-8(5-21(7)9)12(14,15)16/h2-5H,1H3.
What are the key properties of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 329.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139344036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).