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

C12H10FN5S — CID 139359746

IUPAC3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine
SMILESCSc1nc(-c2cnc3cnc(C)cn23)ncc1F
InChIInChI=1S/C12H10FN5S/c1-7-6-18-9(4-15-10(18)5-14-7)11-16-3-8(13)12(17-11)19-2/h3-6H,1-2H3
InChIKeyIWCZVKVYWSTLBC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.36
Rot. Bonds2

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

3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine (PubChem CID 139359746) has the molecular formula C12H10FN5S and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine
PubChem CID139359746
Molecular FormulaC12H10FN5S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC Name3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine
SMILESCSc1nc(-c2cnc3cnc(C)cn23)ncc1F
InChIInChI=1S/C12H10FN5S/c1-7-6-18-9(4-15-10(18)5-14-7)11-16-3-8(13)12(17-11)19-2/h3-6H,1-2H3
InChIKeyIWCZVKVYWSTLBC-UHFFFAOYSA-N
XLogP2.36
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.36
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-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine (CID 139359746) is 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine is CSc1nc(-c2cnc3cnc(C)cn23)ncc1F.
What is the InChIKey of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine?
The InChIKey is IWCZVKVYWSTLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S/c1-7-6-18-9(4-15-10(18)5-14-7)11-16-3-8(13)12(17-11)19-2/h3-6H,1-2H3.
What are the key properties of 3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine?
3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine has a molecular weight of 275.31 g/mol, XLogP of 2.36, 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-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).