4-(2-fluorophenyl)-5-hexylpyrimidine

C16H19FN2 — CID 22392469

IUPAC4-(2-fluorophenyl)-5-hexylpyrimidine
SMILESCCCCCCc1cncnc1-c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-2-3-4-5-8-13-11-18-12-19-16(13)14-9-6-7-10-15(14)17/h6-7,9-12H,2-5,8H2,1H3
InChIKeyCIKORNCASPEFMR-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.41
Rot. Bonds6

About 4-(2-fluorophenyl)-5-hexylpyrimidine

4-(2-fluorophenyl)-5-hexylpyrimidine (PubChem CID 22392469) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-hexylpyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-hexylpyrimidine
PubChem CID22392469
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-(2-fluorophenyl)-5-hexylpyrimidine
SMILESCCCCCCc1cncnc1-c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-2-3-4-5-8-13-11-18-12-19-16(13)14-9-6-7-10-15(14)17/h6-7,9-12H,2-5,8H2,1H3
InChIKeyCIKORNCASPEFMR-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.41
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

4-(2-fluorophenyl)-5-pentylpyrimidine
CID 22392430
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-pentylphenyl)pyrimidine
CID 19839888
4-(2-ethylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 19839774
1-fluoro-2-heptylbenzene
CID 20721019
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
CID 19839566
4-(2-fluorophenyl)-6-hexylquinoline
CID 175902162
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-hexylpyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-5-hexylpyrimidine (CID 22392469) is 4-(2-fluorophenyl)-5-hexylpyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-hexylpyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-5-hexylpyrimidine is CCCCCCc1cncnc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-hexylpyrimidine?
The InChIKey is CIKORNCASPEFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-2-3-4-5-8-13-11-18-12-19-16(13)14-9-6-7-10-15(14)17/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-5-hexylpyrimidine?
4-(2-fluorophenyl)-5-hexylpyrimidine has a molecular weight of 258.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-hexylpyrimidine is sourced from PubChem (CID 22392469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).