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

C18H22F3N3O2 — CID 58804425

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)n1
InChIInChI=1S/C18H22F3N3O2/c1-5-12(6-2)24-16-10-22-17(11(3)23-16)14-8-7-13(9-15(14)25-4)26-18(19,20)21/h7-10,12H,5-6H2,1-4H3,(H,23,24)
InChIKeyAANJUDGXVDCHCQ-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.96
Rot. Bonds7

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

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804425) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804425
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)n1
InChIInChI=1S/C18H22F3N3O2/c1-5-12(6-2)24-16-10-22-17(11(3)23-16)14-8-7-13(9-15(14)25-4)26-18(19,20)21/h7-10,12H,5-6H2,1-4H3,(H,23,24)
InChIKeyAANJUDGXVDCHCQ-UHFFFAOYSA-N
XLogP4.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 58804425) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)n1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is AANJUDGXVDCHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-5-12(6-2)24-16-10-22-17(11(3)23-16)14-8-7-13(9-15(14)25-4)26-18(19,20)21/h7-10,12H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 369.39 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).