5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine

C21H31N3O3 — CID 70104981

IUPAC5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine
SMILESCCCCCNc1nc(OC)c(-c2ccc(OCC)cc2OC)nc1CC
InChIInChI=1S/C21H31N3O3/c1-6-9-10-13-22-20-17(7-2)23-19(21(24-20)26-5)16-12-11-15(27-8-3)14-18(16)25-4/h11-12,14H,6-10,13H2,1-5H3,(H,22,24)
InChIKeyUKJOTJFVWDRTSL-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.72
Rot. Bonds11

About 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine

5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine (PubChem CID 70104981) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine
PubChem CID70104981
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine
SMILESCCCCCNc1nc(OC)c(-c2ccc(OCC)cc2OC)nc1CC
InChIInChI=1S/C21H31N3O3/c1-6-9-10-13-22-20-17(7-2)23-19(21(24-20)26-5)16-12-11-15(27-8-3)14-18(16)25-4/h11-12,14H,6-10,13H2,1-5H3,(H,22,24)
InChIKeyUKJOTJFVWDRTSL-UHFFFAOYSA-N
XLogP4.72
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine?
The IUPAC name of 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine (CID 70104981) is 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine.
What is the SMILES notation for 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine?
The canonical SMILES for 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine is CCCCCNc1nc(OC)c(-c2ccc(OCC)cc2OC)nc1CC.
What is the InChIKey of 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine?
The InChIKey is UKJOTJFVWDRTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-6-9-10-13-22-20-17(7-2)23-19(21(24-20)26-5)16-12-11-15(27-8-3)14-18(16)25-4/h11-12,14H,6-10,13H2,1-5H3,(H,22,24).
What are the key properties of 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine?
5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine is sourced from PubChem (CID 70104981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).