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

C9H11N5O2 — CID 80776875

IUPACmethyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)cn2ccnc12
InChIInChI=1S/C9H11N5O2/c1-16-7(15)4-12-8-9-11-2-3-14(9)5-6(10)13-8/h2-3,5H,4,10H2,1H3,(H,12,13)
InChIKeyBRONUSAQBUABFV-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.10
Rot. Bonds3

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

methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate (PubChem CID 80776875) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
PubChem CID80776875
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Namemethyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)cn2ccnc12
InChIInChI=1S/C9H11N5O2/c1-16-7(15)4-12-8-9-11-2-3-14(9)5-6(10)13-8/h2-3,5H,4,10H2,1H3,(H,12,13)
InChIKeyBRONUSAQBUABFV-UHFFFAOYSA-N
XLogP-0.10
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate (CID 80776875) is methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate is COC(=O)CNc1nc(N)cn2ccnc12.
What is the InChIKey of methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate?
The InChIKey is BRONUSAQBUABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-16-7(15)4-12-8-9-11-2-3-14(9)5-6(10)13-8/h2-3,5H,4,10H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate?
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate has a molecular weight of 221.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate is sourced from PubChem (CID 80776875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).