5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine

C19H23BrF3N3O3 — CID 10390312

IUPAC5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(Br)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC
InChIInChI=1S/C19H23BrF3N3O3/c1-5-7-11(6-2)28-18-17(24-3)25-15(16(20)26-18)13-9-8-12(10-14(13)27-4)29-19(21,22)23/h8-11H,5-7H2,1-4H3,(H,24,25)
InChIKeyQDPICINJXIZEPM-UHFFFAOYSA-N
MW478.31 g/mol
LogP5.81
Rot. Bonds9

About 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine

5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine (PubChem CID 10390312) has the molecular formula C19H23BrF3N3O3 and a molecular weight of 478.31 g/mol. Its IUPAC name is 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
PubChem CID10390312
Molecular FormulaC19H23BrF3N3O3
Molecular Weight478.31 g/mol
Exact Mass477.09
IUPAC Name5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
SMILESCCCC(CC)Oc1nc(Br)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC
InChIInChI=1S/C19H23BrF3N3O3/c1-5-7-11(6-2)28-18-17(24-3)25-15(16(20)26-18)13-9-8-12(10-14(13)27-4)29-19(21,22)23/h8-11H,5-7H2,1-4H3,(H,24,25)
InChIKeyQDPICINJXIZEPM-UHFFFAOYSA-N
XLogP5.81
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-3-pentan-3-yloxypyrazin-2-amine
CID 10073115
6-[4-[difluoro(phosphanyl)methoxy]-2-methoxyphenyl]-3-hexan-3-yloxy-N,5-dimethylpyrazin-2-amine
CID 142866393
5-bromo-6-(2-chloro-4-methoxyphenyl)-3-hexan-3-yloxy-N-methylpyrazin-2-amine
CID 58804456
3-hexan-3-yloxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N,5-dimethylpyrazin-2-amine
CID 58804434
6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
CID 10249269
5-bromo-3-hexoxy-6-(2-methoxy-4-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine
CID 87956170
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
6-[4-methoxy-2-(trifluoromethoxy)phenyl]-N,5-dimethyl-3-pentan-3-yloxypyridin-2-amine
CID 21104809
2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
CID 10138145
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
CID 175372164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine (CID 10390312) is 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine is CCCC(CC)Oc1nc(Br)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC.
What is the InChIKey of 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
The InChIKey is QDPICINJXIZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrF3N3O3/c1-5-7-11(6-2)28-18-17(24-3)25-15(16(20)26-18)13-9-8-12(10-14(13)27-4)29-19(21,22)23/h8-11H,5-7H2,1-4H3,(H,24,25).
What are the key properties of 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?
5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine has a molecular weight of 478.31 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hexan-3-yloxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 10390312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).