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

C12H11BrClFN4 — CID 107617682

IUPAC2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H11BrClFN4/c1-2-17-10-5-16-6-11(18-10)19-12-8(13)3-7(15)4-9(12)14/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyKMLXVGJZRNGMTR-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.21
Rot. Bonds4

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

2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 107617682) has the molecular formula C12H11BrClFN4 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID107617682
Molecular FormulaC12H11BrClFN4
Molecular Weight345.60 g/mol
Exact Mass343.98
IUPAC Name2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H11BrClFN4/c1-2-17-10-5-16-6-11(18-10)19-12-8(13)3-7(15)4-9(12)14/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyKMLXVGJZRNGMTR-UHFFFAOYSA-N
XLogP4.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 83082157
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535660
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (CID 107617682) is 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is KMLXVGJZRNGMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN4/c1-2-17-10-5-16-6-11(18-10)19-12-8(13)3-7(15)4-9(12)14/h3-6H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 345.60 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 107617682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).