ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate

C11H13BrN4O2 — CID 14207605

IUPACethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2cc(Br)nc(NC)c2n1
InChIInChI=1S/C11H13BrN4O2/c1-3-18-9(17)4-7-5-16-6-8(12)15-10(13-2)11(16)14-7/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyLYLHPTZCGZUIQX-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate

ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate (PubChem CID 14207605) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate
PubChem CID14207605
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Nameethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2cc(Br)nc(NC)c2n1
InChIInChI=1S/C11H13BrN4O2/c1-3-18-9(17)4-7-5-16-6-8(12)15-10(13-2)11(16)14-7/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyLYLHPTZCGZUIQX-UHFFFAOYSA-N
XLogP1.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate (CID 14207605) is ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate is CCOC(=O)Cc1cn2cc(Br)nc(NC)c2n1.
What is the InChIKey of ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate?
The InChIKey is LYLHPTZCGZUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-3-18-9(17)4-7-5-16-6-8(12)15-10(13-2)11(16)14-7/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate?
ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate has a molecular weight of 313.16 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-bromo-8-(methylamino)imidazo[1,2-a]pyrazin-2-yl]acetate is sourced from PubChem (CID 14207605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).