4-[5-(dihexylamino)pyrazin-2-yl]phenol

C22H33N3O — CID 135465637

IUPAC4-[5-(dihexylamino)pyrazin-2-yl]phenol
SMILESCCCCCCN(CCCCCC)c1cnc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C22H33N3O/c1-3-5-7-9-15-25(16-10-8-6-4-2)22-18-23-21(17-24-22)19-11-13-20(26)14-12-19/h11-14,17-18,26H,3-10,15-16H2,1-2H3
InChIKeyHUKWEKIGTASEAS-UHFFFAOYSA-N
MW355.53 g/mol
LogP5.82
Rot. Bonds12

About 4-[5-(dihexylamino)pyrazin-2-yl]phenol

4-[5-(dihexylamino)pyrazin-2-yl]phenol (PubChem CID 135465637) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 4-[5-(dihexylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(dihexylamino)pyrazin-2-yl]phenol
PubChem CID135465637
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name4-[5-(dihexylamino)pyrazin-2-yl]phenol
SMILESCCCCCCN(CCCCCC)c1cnc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C22H33N3O/c1-3-5-7-9-15-25(16-10-8-6-4-2)22-18-23-21(17-24-22)19-11-13-20(26)14-12-19/h11-14,17-18,26H,3-10,15-16H2,1-2H3
InChIKeyHUKWEKIGTASEAS-UHFFFAOYSA-N
XLogP5.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(dihexylamino)pyrazin-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(dihexylamino)-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
CID 135516530
4-[5-(dodecylamino)pyrazin-2-yl]phenol
CID 135525100
4-[nonyl(pentyl)amino]phenol
CID 174874757
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
[2-[3-[5-(dioctylamino)pyrazin-2-yl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-1,3-thiazol-5-ylidene]-dodecyl-ethylazanium
CID 159943587
4-(5-octylpyrazin-2-yl)benzoic acid
CID 57270036
4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
CID 139618413
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
CID 135736656
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dihexylamino)pyrazin-2-yl]phenol?
The IUPAC name of 4-[5-(dihexylamino)pyrazin-2-yl]phenol (CID 135465637) is 4-[5-(dihexylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[5-(dihexylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[5-(dihexylamino)pyrazin-2-yl]phenol is CCCCCCN(CCCCCC)c1cnc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[5-(dihexylamino)pyrazin-2-yl]phenol?
The InChIKey is HUKWEKIGTASEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-3-5-7-9-15-25(16-10-8-6-4-2)22-18-23-21(17-24-22)19-11-13-20(26)14-12-19/h11-14,17-18,26H,3-10,15-16H2,1-2H3.
What are the key properties of 4-[5-(dihexylamino)pyrazin-2-yl]phenol?
4-[5-(dihexylamino)pyrazin-2-yl]phenol has a molecular weight of 355.53 g/mol, XLogP of 5.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dihexylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135465637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).