2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine

C12H12BrFN4 — CID 80843376

IUPAC2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyXILVQODTOTXLMA-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.55
Rot. Bonds4

About 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 80843376) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID80843376
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyXILVQODTOTXLMA-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-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine (CID 80843376) is 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is XILVQODTOTXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c1-2-16-11-6-15-7-12(18-11)17-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(4-bromo-3-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-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 80843376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).