2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine

C28H34N2 — CID 54327235

IUPAC2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
SMILESCCCCCCc1ccc(-c2cnc(-c3ccc(C4CCCCC4)cc3)nc2)cc1
InChIInChI=1S/C28H34N2/c1-2-3-4-6-9-22-12-14-25(15-13-22)27-20-29-28(30-21-27)26-18-16-24(17-19-26)23-10-7-5-8-11-23/h12-21,23H,2-11H2,1H3
InChIKeySVUXCUKQUOVOKG-UHFFFAOYSA-N
MW398.59 g/mol
LogP7.98
Rot. Bonds8

About 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine

2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine (PubChem CID 54327235) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
PubChem CID54327235
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
SMILESCCCCCCc1ccc(-c2cnc(-c3ccc(C4CCCCC4)cc3)nc2)cc1
InChIInChI=1S/C28H34N2/c1-2-3-4-6-9-22-12-14-25(15-13-22)27-20-29-28(30-21-27)26-18-16-24(17-19-26)23-10-7-5-8-11-23/h12-21,23H,2-11H2,1H3
InChIKeySVUXCUKQUOVOKG-UHFFFAOYSA-N
XLogP7.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine 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
5-(4-cyclohexylphenyl)-2-octoxypyrimidine
CID 54380230
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
4-[5-(4-decylphenyl)pyrimidin-2-yl]benzenethiol
CID 154261504
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine?
The IUPAC name of 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine (CID 54327235) is 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine is CCCCCCc1ccc(-c2cnc(-c3ccc(C4CCCCC4)cc3)nc2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine?
The InChIKey is SVUXCUKQUOVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-2-3-4-6-9-22-12-14-25(15-13-22)27-20-29-28(30-21-27)26-18-16-24(17-19-26)23-10-7-5-8-11-23/h12-21,23H,2-11H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine?
2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine has a molecular weight of 398.59 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine is sourced from PubChem (CID 54327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).