2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine

C30H37FN2 — CID 18650826

IUPAC2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
SMILESCCCCCCCCC1CCC(c2ccc(-c3cnc(-c4ccc(F)cc4)nc3)cc2)CC1
InChIInChI=1S/C30H37FN2/c1-2-3-4-5-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)28-21-32-30(33-22-28)27-17-19-29(31)20-18-27/h13-24H,2-12H2,1H3
InChIKeyXIXNHRJJNZRVNA-UHFFFAOYSA-N
MW444.64 g/mol
LogP8.97
Rot. Bonds10

About 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine

2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine (PubChem CID 18650826) has the molecular formula C30H37FN2 and a molecular weight of 444.64 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
PubChem CID18650826
Molecular FormulaC30H37FN2
Molecular Weight444.64 g/mol
Exact Mass444.29
IUPAC Name2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
SMILESCCCCCCCCC1CCC(c2ccc(-c3cnc(-c4ccc(F)cc4)nc3)cc2)CC1
InChIInChI=1S/C30H37FN2/c1-2-3-4-5-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)28-21-32-30(33-22-28)27-17-19-29(31)20-18-27/h13-24H,2-12H2,1H3
InChIKeyXIXNHRJJNZRVNA-UHFFFAOYSA-N
XLogP8.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.64
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]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-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine
CID 70226750
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688057
4-fluoro-2-[4-(4-hexylcyclohexyl)phenyl]pyrimidine-5-carbonitrile
CID 70492850
4-fluoro-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine-5-carbonitrile
CID 70492919
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine (CID 18650826) is 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine is CCCCCCCCC1CCC(c2ccc(-c3cnc(-c4ccc(F)cc4)nc3)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine?
The InChIKey is XIXNHRJJNZRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2/c1-2-3-4-5-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)28-21-32-30(33-22-28)27-17-19-29(31)20-18-27/h13-24H,2-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine?
2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine has a molecular weight of 444.64 g/mol, XLogP of 8.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine is sourced from PubChem (CID 18650826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).