N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine

C13H14FN3O — CID 113324952

IUPACN-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
SMILESCCNc1cncc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C13H14FN3O/c1-3-16-13-8-15-7-12(17-13)10-5-4-9(18-2)6-11(10)14/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZAZDSTOFXSZTIA-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine

N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine (PubChem CID 113324952) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
PubChem CID113324952
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
SMILESCCNc1cncc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C13H14FN3O/c1-3-16-13-8-15-7-12(17-13)10-5-4-9(18-2)6-11(10)14/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZAZDSTOFXSZTIA-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
N-ethyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-amine
CID 80865438
5-ethyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 19101283
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
CID 115505267
N-ethyl-6-(2-methylthiophen-3-yl)pyrazin-2-amine
CID 102838556
6-(2,4-dimethoxyphenyl)-N-ethylpyridazin-3-amine
CID 62203038
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine (CID 113324952) is N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine is CCNc1cncc(-c2ccc(OC)cc2F)n1.
What is the InChIKey of N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine?
The InChIKey is ZAZDSTOFXSZTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-16-13-8-15-7-12(17-13)10-5-4-9(18-2)6-11(10)14/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine?
N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 113324952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).