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

C13H10F3N5S — CID 139343787

IUPAC3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1cc(C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C13H10F3N5S/c1-7-3-11(22-2)20-12(19-7)8-4-18-10-5-17-9(6-21(8)10)13(14,15)16/h3-6H,1-2H3
InChIKeyXYERVSFUYBPHMG-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.24
Rot. Bonds2

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

3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343787) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343787
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC Name3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1cc(C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C13H10F3N5S/c1-7-3-11(22-2)20-12(19-7)8-4-18-10-5-17-9(6-21(8)10)13(14,15)16/h3-6H,1-2H3
InChIKeyXYERVSFUYBPHMG-UHFFFAOYSA-N
XLogP3.24
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 694266
2-(((4-Methylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 700171
5,7-Bis(methylthio)-3-methylimidazo[1,5-c]pyrimidine
CID 13339915
5-(Methylthio)-7-(trifluoromethyl)imidazo[1,2-C]pyrimidine
CID 134587723
6-(Difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139343340
6-(1,1-Difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139343381
3-(4-Methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139344018
3-(5-Fluoro-4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139344036
3-(5-Fluoro-4-methylsulfanylpyrimidin-2-yl)-6-methylimidazo[1,2-a]pyrazine
CID 139359746
3-Ethylsulfanyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 146780853

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343787) is 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CSc1cc(C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is XYERVSFUYBPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c1-7-3-11(22-2)20-12(19-7)8-4-18-10-5-17-9(6-21(8)10)13(14,15)16/h3-6H,1-2H3.
What are the key properties of 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 325.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).