2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine

C13H15BrN4 — CID 104801439

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C13H15BrN4/c1-2-17-12(13-9-15-3-4-18-13)6-10-5-11(14)8-16-7-10/h3-5,7-9,12,17H,2,6H2,1H3
InChIKeyFYAORSSWVSJZDN-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.53
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 104801439) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID104801439
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C13H15BrN4/c1-2-17-12(13-9-15-3-4-18-13)6-10-5-11(14)8-16-7-10/h3-5,7-9,12,17H,2,6H2,1H3
InChIKeyFYAORSSWVSJZDN-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 63969018
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 104801439) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(Cc1cncc(Br)c1)c1cnccn1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is FYAORSSWVSJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-17-12(13-9-15-3-4-18-13)6-10-5-11(14)8-16-7-10/h3-5,7-9,12,17H,2,6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 307.19 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 104801439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).