methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate

C11H14N4O2S — CID 80885709

IUPACmethyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
SMILESCCNc1cn2ccnc2c(SCC(=O)OC)n1
InChIInChI=1S/C11H14N4O2S/c1-3-12-8-6-15-5-4-13-10(15)11(14-8)18-7-9(16)17-2/h4-6,12H,3,7H2,1-2H3
InChIKeySBRVGFGXGPRAOU-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.43
Rot. Bonds5

About methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate

methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate (PubChem CID 80885709) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
PubChem CID80885709
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Namemethyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
SMILESCCNc1cn2ccnc2c(SCC(=O)OC)n1
InChIInChI=1S/C11H14N4O2S/c1-3-12-8-6-15-5-4-13-10(15)11(14-8)18-7-9(16)17-2/h4-6,12H,3,7H2,1-2H3
InChIKeySBRVGFGXGPRAOU-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-8-(2-methoxyethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80884128
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
CID 80891200
N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
N-ethyl-8-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80886588
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
CID 80791121
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
CID 80882609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate?
The IUPAC name of methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate (CID 80885709) is methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate is CCNc1cn2ccnc2c(SCC(=O)OC)n1.
What is the InChIKey of methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate?
The InChIKey is SBRVGFGXGPRAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-12-8-6-15-5-4-13-10(15)11(14-8)18-7-9(16)17-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate?
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate has a molecular weight of 266.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate is sourced from PubChem (CID 80885709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).