3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine

C20H26F3N3O2 — CID 22249113

IUPAC3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C(F)(F)F)c(OC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O2/c1-6-12(7-2)24-18-16(8-3)25-17(19(26-18)28-5)14-10-9-13(27-4)11-15(14)20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26)
InChIKeyJGQRNOKIZSXROC-UHFFFAOYSA-N
MW397.44 g/mol
LogP5.34
Rot. Bonds8

About 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine

3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249113) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249113
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC)cc2C(F)(F)F)c(OC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O2/c1-6-12(7-2)24-18-16(8-3)25-17(19(26-18)28-5)14-10-9-13(27-4)11-15(14)20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26)
InChIKeyJGQRNOKIZSXROC-UHFFFAOYSA-N
XLogP5.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine (CID 22249113) is 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC)cc2C(F)(F)F)c(OC)nc1NC(CC)CC.
What is the InChIKey of 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is JGQRNOKIZSXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-6-12(7-2)24-18-16(8-3)25-17(19(26-18)28-5)14-10-9-13(27-4)11-15(14)20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 397.44 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).