4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine

C12H15BrN4S — CID 79946928

IUPAC4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nc(Br)cn3ccnc23)CC(C)S1
InChIInChI=1S/C12H15BrN4S/c1-8-5-17(6-9(2)18-8)12-11-14-3-4-16(11)7-10(13)15-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyCGLJXOVZSDWRFA-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.82
Rot. Bonds1

About 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine

4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine (PubChem CID 79946928) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine
PubChem CID79946928
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nc(Br)cn3ccnc23)CC(C)S1
InChIInChI=1S/C12H15BrN4S/c1-8-5-17(6-9(2)18-8)12-11-14-3-4-16(11)7-10(13)15-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyCGLJXOVZSDWRFA-UHFFFAOYSA-N
XLogP2.82
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine (CID 79946928) is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine is CC1CN(c2nc(Br)cn3ccnc23)CC(C)S1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine?
The InChIKey is CGLJXOVZSDWRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-8-5-17(6-9(2)18-8)12-11-14-3-4-16(11)7-10(13)15-12/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine?
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine has a molecular weight of 327.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 79946928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).