2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine

C30H37FN2 — CID 70226750

IUPAC2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)nc2)cc1
InChIInChI=1S/C30H37FN2/c1-2-6-23-8-14-27(15-9-23)29-21-32-30(33-22-29)28-18-16-26(17-19-28)25-12-10-24(11-13-25)7-4-3-5-20-31/h8-9,14-19,21-22,24-25H,2-7,10-13,20H2,1H3
InChIKeyPLVSOLUZDGVWLM-UHFFFAOYSA-N
MW444.64 g/mol
LogP8.57
Rot. Bonds10

About 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine

2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine (PubChem CID 70226750) has the molecular formula C30H37FN2 and a molecular weight of 444.64 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine
PubChem CID70226750
Molecular FormulaC30H37FN2
Molecular Weight444.64 g/mol
Exact Mass444.29
IUPAC Name2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)nc2)cc1
InChIInChI=1S/C30H37FN2/c1-2-6-23-8-14-27(15-9-23)29-21-32-30(33-22-29)28-18-16-26(17-19-28)25-12-10-24(11-13-25)7-4-3-5-20-31/h8-9,14-19,21-22,24-25H,2-7,10-13,20H2,1H3
InChIKeyPLVSOLUZDGVWLM-UHFFFAOYSA-N
XLogP8.57
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 ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
CID 18650826
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
2-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine (CID 70226750) is 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine is CCCc1ccc(-c2cnc(-c3ccc(C4CCC(CCCCCF)CC4)cc3)nc2)cc1.
What is the InChIKey of 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine?
The InChIKey is PLVSOLUZDGVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2/c1-2-6-23-8-14-27(15-9-23)29-21-32-30(33-22-29)28-18-16-26(17-19-28)25-12-10-24(11-13-25)7-4-3-5-20-31/h8-9,14-19,21-22,24-25H,2-7,10-13,20H2,1H3.
What are the key properties of 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine?
2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine has a molecular weight of 444.64 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine is sourced from PubChem (CID 70226750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).