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

C20H26F3N3OS — CID 58804486

IUPAC3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(SC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3OS/c1-6-13(7-2)24-18-16(8-3)25-17(19(26-18)28-5)15-10-9-14(11-12(15)4)27-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,26)
InChIKeyWJMOJEZRCSEPNF-UHFFFAOYSA-N
MW413.51 g/mol
LogP6.24
Rot. Bonds8

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

3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804486) has the molecular formula C20H26F3N3OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804486
Molecular FormulaC20H26F3N3OS
Molecular Weight413.51 g/mol
Exact Mass413.17
IUPAC Name3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(SC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3OS/c1-6-13(7-2)24-18-16(8-3)25-17(19(26-18)28-5)15-10-9-14(11-12(15)4)27-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,26)
InChIKeyWJMOJEZRCSEPNF-UHFFFAOYSA-N
XLogP6.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 22249113
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
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804350
2-methylsulfanyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile
CID 155338109
2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
CID 10138145
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 134543465

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine (CID 58804486) is 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC(F)(F)F)cc2C)c(SC)nc1NC(CC)CC.
What is the InChIKey of 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is WJMOJEZRCSEPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3OS/c1-6-13(7-2)24-18-16(8-3)25-17(19(26-18)28-5)15-10-9-14(11-12(15)4)27-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 413.51 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).