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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Related Compounds

3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
5-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-3-pentan-3-yloxypyrazin-2-amine
CID 10073115
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
CID 175372164
6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
CID 11625654
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
6-[4-[difluoro(phosphanyl)methoxy]-2-methoxyphenyl]-3-hexan-3-yloxy-N,5-dimethylpyrazin-2-amine
CID 142866393
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
CID 10390312

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).