6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine

C11H12BrN3OS — CID 107751026

IUPAC6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine
SMILESCC1OCCC1Sc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H12BrN3OS/c1-7-8(2-5-16-7)17-11-10-13-3-4-15(10)6-9(12)14-11/h3-4,6-8H,2,5H2,1H3
InChIKeyFSTMMTPZSDBEBU-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.76
Rot. Bonds2

About 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine

6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine (PubChem CID 107751026) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine
PubChem CID107751026
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine
SMILESCC1OCCC1Sc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H12BrN3OS/c1-7-8(2-5-16-7)17-11-10-13-3-4-15(10)6-9(12)14-11/h3-4,6-8H,2,5H2,1H3
InChIKeyFSTMMTPZSDBEBU-UHFFFAOYSA-N
XLogP2.76
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine
CID 106494873
6-bromo-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazine
CID 79947658
6-bromo-8-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyrazine
CID 79946402
3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
CID 79946584
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylmorpholine
CID 79955406
6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
CID 79947218
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-2,6-dimethylthiomorpholine
CID 79946928
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886028
6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
CID 114123820
6-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-7H-purine
CID 79954521
3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 79946674

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine (CID 107751026) is 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine is CC1OCCC1Sc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine?
The InChIKey is FSTMMTPZSDBEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-8(2-5-16-7)17-11-10-13-3-4-15(10)6-9(12)14-11/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine?
6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine has a molecular weight of 314.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 107751026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).