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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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).