2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine

C12H12BrFN4 — CID 80759491

IUPAC2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyHCEOAYSEOSWPAV-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.55
Rot. Bonds4

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

2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 80759491) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID80759491
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyHCEOAYSEOSWPAV-UHFFFAOYSA-N
XLogP3.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
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
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
N-(4-bromo-2-fluorophenyl)-5-chloropyridin-2-amine
CID 66218088

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (CID 80759491) is 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is HCEOAYSEOSWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-10-4-3-8(13)5-9(10)14/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 311.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 80759491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).