ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate

C13H17BrN4O2 — CID 14207614

IUPACethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
InChIInChI=1S/C13H17BrN4O2/c1-4-8(3)15-11-12-16-9(13(19)20-5-2)6-18(12)7-10(14)17-11/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyMIUKXQLUAYGHTD-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.88
Rot. Bonds5

About ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 14207614) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID14207614
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Nameethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1
InChIInChI=1S/C13H17BrN4O2/c1-4-8(3)15-11-12-16-9(13(19)20-5-2)6-18(12)7-10(14)17-11/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyMIUKXQLUAYGHTD-UHFFFAOYSA-N
XLogP2.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate (CID 14207614) is ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(Br)nc(NC(C)CC)c2n1.
What is the InChIKey of ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is MIUKXQLUAYGHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-4-8(3)15-11-12-16-9(13(19)20-5-2)6-18(12)7-10(14)17-11/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 341.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 14207614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).