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

C22H23FN2 — CID 22089512

IUPAC2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
SMILESCCCCCCc1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H23FN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-15-24-22(25-16-20)19-11-13-21(23)14-12-19/h7-16H,2-6H2,1H3
InChIKeyLNTLIWOZYBAMFS-UHFFFAOYSA-N
MW334.44 g/mol
LogP6.07
Rot. Bonds7

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

2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine (PubChem CID 22089512) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
PubChem CID22089512
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC Name2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
SMILESCCCCCCc1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H23FN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-15-24-22(25-16-20)19-11-13-21(23)14-12-19/h7-16H,2-6H2,1H3
InChIKeyLNTLIWOZYBAMFS-UHFFFAOYSA-N
XLogP6.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 56.07
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-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
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
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine (CID 22089512) is 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine is CCCCCCc1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine?
The InChIKey is LNTLIWOZYBAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)20-15-24-22(25-16-20)19-11-13-21(23)14-12-19/h7-16H,2-6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine?
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine has a molecular weight of 334.44 g/mol, XLogP of 6.07, 7 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-hexylphenyl)pyrimidine is sourced from PubChem (CID 22089512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).