ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate

C12H17N5O2 — CID 80816137

IUPACethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(NC)cn2ccnc12
InChIInChI=1S/C12H17N5O2/c1-3-19-10(18)4-5-14-11-12-15-6-7-17(12)8-9(13-2)16-11/h6-8,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyDAGQQMRMNRLOCO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.14
Rot. Bonds6

About ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate

ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate (PubChem CID 80816137) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
PubChem CID80816137
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Nameethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(NC)cn2ccnc12
InChIInChI=1S/C12H17N5O2/c1-3-19-10(18)4-5-14-11-12-15-6-7-17(12)8-9(13-2)16-11/h6-8,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyDAGQQMRMNRLOCO-UHFFFAOYSA-N
XLogP1.14
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]propanoate
CID 80899293
ethyl 2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80898117
5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
N-(2,2-dimethylpropyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80899650
6-N-methyl-8-N-(2-methylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80832137
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106434075
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate (CID 80816137) is ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate is CCOC(=O)CCNc1nc(NC)cn2ccnc12.
What is the InChIKey of ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate?
The InChIKey is DAGQQMRMNRLOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-19-10(18)4-5-14-11-12-15-6-7-17(12)8-9(13-2)16-11/h6-8,13H,3-5H2,1-2H3,(H,14,16).
What are the key properties of ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate?
ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate has a molecular weight of 263.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate is sourced from PubChem (CID 80816137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).