6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine

C13H12BrN5S — CID 79946402

IUPAC6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine
SMILESCc1nc(Sc2nc(Br)cn3ccnc23)nc(C)c1C
InChIInChI=1S/C13H12BrN5S/c1-7-8(2)16-13(17-9(7)3)20-12-11-15-4-5-19(11)6-10(14)18-12/h4-6H,1-3H3
InChIKeyXOGGGUWHOJGVPU-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.36
Rot. Bonds2

About 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine

6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine (PubChem CID 79946402) has the molecular formula C13H12BrN5S and a molecular weight of 350.25 g/mol. Its IUPAC name is 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine
PubChem CID79946402
Molecular FormulaC13H12BrN5S
Molecular Weight350.25 g/mol
Exact Mass349.00
IUPAC Name6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine
SMILESCc1nc(Sc2nc(Br)cn3ccnc23)nc(C)c1C
InChIInChI=1S/C13H12BrN5S/c1-7-8(2)16-13(17-9(7)3)20-12-11-15-4-5-19(11)6-10(14)18-12/h4-6H,1-3H3
InChIKeyXOGGGUWHOJGVPU-UHFFFAOYSA-N
XLogP3.36
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine (CID 79946402) is 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine is Cc1nc(Sc2nc(Br)cn3ccnc23)nc(C)c1C.
What is the InChIKey of 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine?
The InChIKey is XOGGGUWHOJGVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5S/c1-7-8(2)16-13(17-9(7)3)20-12-11-15-4-5-19(11)6-10(14)18-12/h4-6H,1-3H3.
What are the key properties of 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine?
6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine has a molecular weight of 350.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).