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

C20H26F3N3O3 — CID 58804534

IUPAC3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O3/c1-6-13(7-2)25-18-19(28-8-3)26-17(12(4)24-18)15-10-9-14(11-16(15)27-5)29-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,25)
InChIKeyBGWVZDPYKOHDBJ-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.36
Rot. Bonds9

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

3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804534) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804534
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)nc1NC(CC)CC
InChIInChI=1S/C20H26F3N3O3/c1-6-13(7-2)25-18-19(28-8-3)26-17(12(4)24-18)15-10-9-14(11-16(15)27-5)29-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,25)
InChIKeyBGWVZDPYKOHDBJ-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 71168153
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
CID 10020281
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
6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
CID 10249269
5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595034
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 58804534) is 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCOc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)nc1NC(CC)CC.
What is the InChIKey of 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is BGWVZDPYKOHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-6-13(7-2)25-18-19(28-8-3)26-17(12(4)24-18)15-10-9-14(11-16(15)27-5)29-20(21,22)23/h9-11,13H,6-8H2,1-5H3,(H,24,25).
What are the key properties of 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 413.44 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).