6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine

C11H6BrN7S — CID 79954521

IUPAC6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine
SMILESBrc1cn2ccnc2c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H6BrN7S/c12-6-3-19-2-1-13-9(19)11(18-6)20-10-7-8(15-4-14-7)16-5-17-10/h1-5H,(H,14,15,16,17)
InChIKeyOQDUHIHEYQPKNH-UHFFFAOYSA-N
MW348.19 g/mol
LogP2.31
Rot. Bonds2

About 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine

6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine (PubChem CID 79954521) has the molecular formula C11H6BrN7S and a molecular weight of 348.19 g/mol. Its IUPAC name is 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine.

Molecular Properties

Compound Name6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine
PubChem CID79954521
Molecular FormulaC11H6BrN7S
Molecular Weight348.19 g/mol
Exact Mass346.96
IUPAC Name6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine
SMILESBrc1cn2ccnc2c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H6BrN7S/c12-6-3-19-2-1-13-9(19)11(18-6)20-10-7-8(15-4-14-7)16-5-17-10/h1-5H,(H,14,15,16,17)
InChIKeyOQDUHIHEYQPKNH-UHFFFAOYSA-N
XLogP2.31
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine?
The IUPAC name of 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine (CID 79954521) is 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine.
What is the SMILES notation for 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine?
The canonical SMILES for 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine is Brc1cn2ccnc2c(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine?
The InChIKey is OQDUHIHEYQPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN7S/c12-6-3-19-2-1-13-9(19)11(18-6)20-10-7-8(15-4-14-7)16-5-17-10/h1-5H,(H,14,15,16,17).
What are the key properties of 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine?
6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine has a molecular weight of 348.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine is sourced from PubChem (CID 79954521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).