5-(4-cyclohexylphenyl)-2-octoxypyrimidine

C24H34N2O — CID 54380230

IUPAC5-(4-cyclohexylphenyl)-2-octoxypyrimidine
SMILESCCCCCCCCOc1ncc(-c2ccc(C3CCCCC3)cc2)cn1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-24-25-18-23(19-26-24)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h13-16,18-20H,2-12,17H2,1H3
InChIKeyUZJKKVLXPPMEEJ-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.93
Rot. Bonds10

About 5-(4-cyclohexylphenyl)-2-octoxypyrimidine

5-(4-cyclohexylphenyl)-2-octoxypyrimidine (PubChem CID 54380230) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-2-octoxypyrimidine.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-2-octoxypyrimidine
PubChem CID54380230
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name5-(4-cyclohexylphenyl)-2-octoxypyrimidine
SMILESCCCCCCCCOc1ncc(-c2ccc(C3CCCCC3)cc2)cn1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-24-25-18-23(19-26-24)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h13-16,18-20H,2-12,17H2,1H3
InChIKeyUZJKKVLXPPMEEJ-UHFFFAOYSA-N
XLogP6.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-cyclohexylphenyl)-2-octoxypyrimidine 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

2-(4-cyclohexylphenyl)-5-octoxypyrimidine
CID 54232091
1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
CID 54327235
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
5-[4-(7-methyloctoxy)phenyl]-2-nonoxypyrimidine
CID 67864487
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
5-(4-decoxyphenyl)-2-[(5R)-5-fluoroheptoxy]pyrimidine
CID 101074691

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-2-octoxypyrimidine?
The IUPAC name of 5-(4-cyclohexylphenyl)-2-octoxypyrimidine (CID 54380230) is 5-(4-cyclohexylphenyl)-2-octoxypyrimidine.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-2-octoxypyrimidine?
The canonical SMILES for 5-(4-cyclohexylphenyl)-2-octoxypyrimidine is CCCCCCCCOc1ncc(-c2ccc(C3CCCCC3)cc2)cn1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-2-octoxypyrimidine?
The InChIKey is UZJKKVLXPPMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-24-25-18-23(19-26-24)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h13-16,18-20H,2-12,17H2,1H3.
What are the key properties of 5-(4-cyclohexylphenyl)-2-octoxypyrimidine?
5-(4-cyclohexylphenyl)-2-octoxypyrimidine has a molecular weight of 366.55 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-2-octoxypyrimidine is sourced from PubChem (CID 54380230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).