6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine

C13H15FN4 — CID 80851533

IUPAC6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(C)cc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-16-12-7-15-8-13(18-12)17-11-5-9(2)4-10(14)6-11/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyJXWOFXMMONJJLB-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.10
Rot. Bonds4

About 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine (PubChem CID 80851533) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
PubChem CID80851533
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(C)cc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-16-12-7-15-8-13(18-12)17-11-5-9(2)4-10(14)6-11/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyJXWOFXMMONJJLB-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80923268
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
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-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
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
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine (CID 80851533) is 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine is CCNc1cncc(Nc2cc(C)cc(F)c2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine?
The InChIKey is JXWOFXMMONJJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-16-12-7-15-8-13(18-12)17-11-5-9(2)4-10(14)6-11/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).