6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine

C20H29F3N4O2 — CID 91115081

IUPAC6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine
SMILES[H]/N=C1/C(N)N(C(CC)CC)C(CC)=C(c2ccc(OC(F)(F)F)cc2OC)N1C
InChIInChI=1S/C20H29F3N4O2/c1-6-12(7-2)27-15(8-3)17(26(4)18(24)19(27)25)14-10-9-13(11-16(14)28-5)29-20(21,22)23/h9-12,19,24H,6-8,25H2,1-5H3/b24-18-
InChIKeyDYMBIIONGFANOG-MOHJPFBDSA-N
MW414.47 g/mol
LogP4.37
Rot. Bonds7

About 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine

6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine (PubChem CID 91115081) has the molecular formula C20H29F3N4O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine.

Molecular Properties

Compound Name6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine
PubChem CID91115081
Molecular FormulaC20H29F3N4O2
Molecular Weight414.47 g/mol
Exact Mass414.22
IUPAC Name6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine
SMILES[H]/N=C1/C(N)N(C(CC)CC)C(CC)=C(c2ccc(OC(F)(F)F)cc2OC)N1C
InChIInChI=1S/C20H29F3N4O2/c1-6-12(7-2)27-15(8-3)17(26(4)18(24)19(27)25)14-10-9-13(11-16(14)28-5)29-20(21,22)23/h9-12,19,24H,6-8,25H2,1-5H3/b24-18-
InChIKeyDYMBIIONGFANOG-MOHJPFBDSA-N
XLogP4.37
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
CID 11625654
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazine;hydrochloride
CID 175372164
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
1-[2-methoxy-4-(trifluoromethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889486
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
5-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methyl-3-pentan-3-yloxypyrazin-2-amine
CID 10073115
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpentan-2-ol
CID 171266279
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine?
The IUPAC name of 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine (CID 91115081) is 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine.
What is the SMILES notation for 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine?
The canonical SMILES for 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine is [H]/N=C1/C(N)N(C(CC)CC)C(CC)=C(c2ccc(OC(F)(F)F)cc2OC)N1C.
What is the InChIKey of 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine?
The InChIKey is DYMBIIONGFANOG-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H29F3N4O2/c1-6-12(7-2)27-15(8-3)17(26(4)18(24)19(27)25)14-10-9-13(11-16(14)28-5)29-20(21,22)23/h9-12,19,24H,6-8,25H2,1-5H3/b24-18-.
What are the key properties of 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine?
6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-imino-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-4-methyl-1-pentan-3-yl-2H-pyrazin-2-amine is sourced from PubChem (CID 91115081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).