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

C20H26F3N3O2 — CID 22248884

IUPAC6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C20H26F3N3O2/c1-6-13(7-2)24-18-19(28-5)26-17(15(8-3)25-18)14-10-9-12(20(21,22)23)11-16(14)27-4/h9-11,13H,6-8H2,1-5H3,(H,24,25)
InChIKeyGZJIZFUBOCBTJD-UHFFFAOYSA-N
MW397.44 g/mol
LogP5.34
Rot. Bonds8

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

6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22248884) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
PubChem CID22248884
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C20H26F3N3O2/c1-6-13(7-2)24-18-19(28-5)26-17(15(8-3)25-18)14-10-9-12(20(21,22)23)11-16(14)27-4/h9-11,13H,6-8H2,1-5H3,(H,24,25)
InChIKeyGZJIZFUBOCBTJD-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 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine (CID 22248884) is 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is GZJIZFUBOCBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-6-13(7-2)24-18-19(28-5)26-17(15(8-3)25-18)14-10-9-12(20(21,22)23)11-16(14)27-4/h9-11,13H,6-8H2,1-5H3,(H,24,25).
What are the key properties of 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine?
6-ethyl-3-methoxy-5-[2-methoxy-4-(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 6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22248884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).