3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine

C18H23F3N2O2 — CID 91256943

IUPAC3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)c2ccc(C(F)(F)F)cc2)C(OC)=NC1C(C)C
InChIInChI=1S/C18H23F3N2O2/c1-10(2)14-16(24-4)23-15(17(22-14)25-5)11(3)12-6-8-13(9-7-12)18(19,20)21/h6-11,14-15H,1-5H3
InChIKeySNJYXOYLYNKBRA-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.31
Rot. Bonds3

About 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine

3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine (PubChem CID 91256943) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine
PubChem CID91256943
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)c2ccc(C(F)(F)F)cc2)C(OC)=NC1C(C)C
InChIInChI=1S/C18H23F3N2O2/c1-10(2)14-16(24-4)23-15(17(22-14)25-5)11(3)12-6-8-13(9-7-12)18(19,20)21/h6-11,14-15H,1-5H3
InChIKeySNJYXOYLYNKBRA-UHFFFAOYSA-N
XLogP4.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984930
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 11232137
2-benzyl-5-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 18800879
(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-(2'-fluoro-4'-(trifluoromethyl)benzyl)-5-isopropylpyrazine
CID 20628238
2-[[2-Fluoro-4-(trifluoromethyl)phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 21911212
(2S,5R)-3,6-dimethoxy-2-(propan-2-yl)-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 53442579
(2R,5S)-2-Isopropyl-3,6-dimethoxy-5-((S)-methoxy(4-(trifluoromethyl)phenyl)methyl)-2,5-dihydropyrazine
CID 57991935
(2S,5R)-3,6-dimethoxy-2-[methoxy-[4-(trifluoromethyl)phenyl]methyl]-5-propan-2-yl-2,5-dihydropyrazine
CID 67089506
(2R,5S)-2-Isopropyl-3,6-dimethoxy-5-(4,4,4-trifluoro-3-phenyl-butyl)-2,5-dihydro-pyrazine
CID 67177689

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine?
The IUPAC name of 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine (CID 91256943) is 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine?
The canonical SMILES for 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine is COC1=NC(C(C)c2ccc(C(F)(F)F)cc2)C(OC)=NC1C(C)C.
What is the InChIKey of 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine?
The InChIKey is SNJYXOYLYNKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-10(2)14-16(24-4)23-15(17(22-14)25-5)11(3)12-6-8-13(9-7-12)18(19,20)21/h6-11,14-15H,1-5H3.
What are the key properties of 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine?
3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine has a molecular weight of 356.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-propan-2-yl-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5-dihydropyrazine is sourced from PubChem (CID 91256943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).