2-(4-cyclohexylphenyl)-5-octoxypyrimidine

C24H34N2O — CID 54232091

IUPAC2-(4-cyclohexylphenyl)-5-octoxypyrimidine
SMILESCCCCCCCCOc1cnc(-c2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-23-18-25-24(26-19-23)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h13-16,18-20H,2-12,17H2,1H3
InChIKeyQJZRJHSESHZCLP-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.93
Rot. Bonds10

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

2-(4-cyclohexylphenyl)-5-octoxypyrimidine (PubChem CID 54232091) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-5-octoxypyrimidine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-5-octoxypyrimidine
PubChem CID54232091
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-(4-cyclohexylphenyl)-5-octoxypyrimidine
SMILESCCCCCCCCOc1cnc(-c2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-23-18-25-24(26-19-23)22-15-13-21(14-16-22)20-11-8-7-9-12-20/h13-16,18-20H,2-12,17H2,1H3
InChIKeyQJZRJHSESHZCLP-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 2-(4-cyclohexylphenyl)-5-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

1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-[4-(cyclohexylmethoxy)phenyl]-5-octoxypyrimidine
CID 70305796
2-[4-(8-cyclopentyloctoxy)phenyl]-5-nonoxypyrimidine
CID 19083480
5-(4-cyclohexylphenyl)-2-octoxypyrimidine
CID 54380230
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
CID 54327235
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
5-dodecoxy-2-(4-methylphenyl)pyrimidine
CID 18716574
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-5-octoxypyrimidine?
The IUPAC name of 2-(4-cyclohexylphenyl)-5-octoxypyrimidine (CID 54232091) is 2-(4-cyclohexylphenyl)-5-octoxypyrimidine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-5-octoxypyrimidine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-5-octoxypyrimidine is CCCCCCCCOc1cnc(-c2ccc(C3CCCCC3)cc2)nc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-5-octoxypyrimidine?
The InChIKey is QJZRJHSESHZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-3-4-5-6-10-17-27-23-18-25-24(26-19-23)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 2-(4-cyclohexylphenyl)-5-octoxypyrimidine?
2-(4-cyclohexylphenyl)-5-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 2-(4-cyclohexylphenyl)-5-octoxypyrimidine is sourced from PubChem (CID 54232091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).