2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine

C12H12F2N4 — CID 80755020

IUPAC2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N4/c1-2-16-10-6-15-7-11(17-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyDPWWIWHLJYOCGV-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.93
Rot. Bonds4

About 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 80755020) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID80755020
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N4/c1-2-16-10-6-15-7-11(17-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyDPWWIWHLJYOCGV-UHFFFAOYSA-N
XLogP2.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
N-ethyl-2,6-difluoroaniline
CID 23270171
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine (CID 80755020) is 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is DPWWIWHLJYOCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-2-16-10-6-15-7-11(17-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 80755020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).