2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine

C12H11BrF2N4 — CID 102855613

IUPAC2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H11BrF2N4/c1-2-17-11-5-16-6-12(19-11)18-10-3-7(13)8(14)4-9(10)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyQAKGESSFPSUWLS-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.69
Rot. Bonds4

About 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 102855613) has the molecular formula C12H11BrF2N4 and a molecular weight of 329.15 g/mol. Its IUPAC name is 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID102855613
Molecular FormulaC12H11BrF2N4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H11BrF2N4/c1-2-17-11-5-16-6-12(19-11)18-10-3-7(13)8(14)4-9(10)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyQAKGESSFPSUWLS-UHFFFAOYSA-N
XLogP3.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
CID 62810763

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine (CID 102855613) is 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is QAKGESSFPSUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N4/c1-2-17-11-5-16-6-12(19-11)18-10-3-7(13)8(14)4-9(10)15/h3-6H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 329.15 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 102855613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).