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

C19H24F3N3O2 — CID 23595046

IUPAC3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1OC
InChIInChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24)
InChIKeyNEOHKAIDUNQZGR-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.09
Rot. Bonds7

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

3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595046) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595046
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1OC
InChIInChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24)
InChIKeyNEOHKAIDUNQZGR-UHFFFAOYSA-N
XLogP5.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23595046) is 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2OC)nc1OC.
What is the InChIKey of 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is NEOHKAIDUNQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24).
What are the key properties of 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 383.41 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).