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

C20H26F3N3O3 — CID 10295219

IUPAC3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O3/c1-6-12(7-2)24-18-15(8-3)25-17(19(26-18)28-5)14-10-9-13(11-16(14)27-4)29-20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26)
InChIKeyYFIPDLXBDOAVAO-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.22
Rot. Bonds9

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

3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine (PubChem CID 10295219) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
PubChem CID10295219
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O3/c1-6-12(7-2)24-18-15(8-3)25-17(19(26-18)28-5)14-10-9-13(11-16(14)27-4)29-20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26)
InChIKeyYFIPDLXBDOAVAO-UHFFFAOYSA-N
XLogP5.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpropyl)-(3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl)amine
CID 9822241
2-(2,4-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine
CID 9928790
3,6-diethyl-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10178818
3,6-diethyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10200724
3,6-diethyl-5-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10223332
3,6-diethyl-5-(2,4-dimethoxyphenyl)-[N-(1-ethylpropyl)]pyrazine-2-amine
CID 18449319
6-ethyl-3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 22248884
5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22248935
5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
CID 22249028
6-ethyl-3-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 22249054
5-[2-chloro-4-(difluoromethoxy)phenyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249128
5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595014

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine (CID 10295219) is 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NC(CC)CC.
What is the InChIKey of 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is YFIPDLXBDOAVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-6-12(7-2)24-18-15(8-3)25-17(19(26-18)28-5)14-10-9-13(11-16(14)27-4)29-20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine?
3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 413.44 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 10295219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).