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

C10H11BrN4O2 — CID 14207609

IUPACethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(NC)c2n1
InChIInChI=1S/C10H11BrN4O2/c1-3-17-10(16)6-4-15-5-7(11)14-8(12-2)9(15)13-6/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyKWHLVKOCPBVXII-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.71
Rot. Bonds3

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

ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 14207609) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID14207609
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Nameethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(NC)c2n1
InChIInChI=1S/C10H11BrN4O2/c1-3-17-10(16)6-4-15-5-7(11)14-8(12-2)9(15)13-6/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyKWHLVKOCPBVXII-UHFFFAOYSA-N
XLogP1.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.71
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-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate (CID 14207609) is ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(Br)nc(NC)c2n1.
What is the InChIKey of ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is KWHLVKOCPBVXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-3-17-10(16)6-4-15-5-7(11)14-8(12-2)9(15)13-6/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 299.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 14207609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).