6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine

C11H12BrN3OS — CID 106494873

IUPAC6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2c(SCC2CCCO2)n1
InChIInChI=1S/C11H12BrN3OS/c12-9-6-15-4-3-13-10(15)11(14-9)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7H2
InChIKeyOVFXAIXHTFJHSO-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.76
Rot. Bonds3

About 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine

6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine (PubChem CID 106494873) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine
PubChem CID106494873
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine
SMILESBrc1cn2ccnc2c(SCC2CCCO2)n1
InChIInChI=1S/C11H12BrN3OS/c12-9-6-15-4-3-13-10(15)11(14-9)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7H2
InChIKeyOVFXAIXHTFJHSO-UHFFFAOYSA-N
XLogP2.76
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
CID 79946584
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946607
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
5-iodo-4-(oxolan-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 106495323
[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]cyclopentyl]methanol
CID 114179118
2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholin-4-amine
CID 83023703

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine (CID 106494873) is 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine is Brc1cn2ccnc2c(SCC2CCCO2)n1.
What is the InChIKey of 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine?
The InChIKey is OVFXAIXHTFJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-9-6-15-4-3-13-10(15)11(14-9)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine?
6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine has a molecular weight of 314.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 106494873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).