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

C11H15N5O2 — CID 80777733

IUPACmethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
SMILESCCNc1cn2ccnc2c(NCC(=O)OC)n1
InChIInChI=1S/C11H15N5O2/c1-3-12-8-7-16-5-4-13-11(16)10(15-8)14-6-9(17)18-2/h4-5,7,12H,3,6H2,1-2H3,(H,14,15)
InChIKeyAFECPSARIRFTBZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.75
Rot. Bonds5

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

methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate (PubChem CID 80777733) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
PubChem CID80777733
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namemethyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
SMILESCCNc1cn2ccnc2c(NCC(=O)OC)n1
InChIInChI=1S/C11H15N5O2/c1-3-12-8-7-16-5-4-13-11(16)10(15-8)14-6-9(17)18-2/h4-5,7,12H,3,6H2,1-2H3,(H,14,15)
InChIKeyAFECPSARIRFTBZ-UHFFFAOYSA-N
XLogP0.75
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
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]amino]acetate?
The IUPAC name of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate (CID 80777733) is methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate is CCNc1cn2ccnc2c(NCC(=O)OC)n1.
What is the InChIKey of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate?
The InChIKey is AFECPSARIRFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-12-8-7-16-5-4-13-11(16)10(15-8)14-6-9(17)18-2/h4-5,7,12H,3,6H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate?
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate has a molecular weight of 249.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 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]amino]acetate is sourced from PubChem (CID 80777733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).