6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine

C29H38N4O3 — CID 11352331

IUPAC6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C29H38N4O3/c1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33/h4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32)
InChIKeyPPGXYSPWCQYYEK-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.60
Rot. Bonds13

About 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine

6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine (PubChem CID 11352331) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine
PubChem CID11352331
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C29H38N4O3/c1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33/h4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32)
InChIKeyPPGXYSPWCQYYEK-UHFFFAOYSA-N
XLogP5.60
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine?
The IUPAC name of 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine (CID 11352331) is 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine is CCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine?
The InChIKey is PPGXYSPWCQYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33/h4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32).
What are the key properties of 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine?
6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine has a molecular weight of 490.65 g/mol, XLogP of 5.60, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine is sourced from PubChem (CID 11352331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).