2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine

C24H35FN2 — CID 139691675

IUPAC2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(CCCC(C)F)cc2)nc1
InChIInChI=1S/C24H35FN2/c1-3-4-5-6-7-8-9-12-22-18-26-24(27-19-22)23-16-14-21(15-17-23)13-10-11-20(2)25/h14-20H,3-13H2,1-2H3
InChIKeyYYTWXXLWCGZERZ-UHFFFAOYSA-N
MW370.56 g/mol
LogP7.12
Rot. Bonds13

About 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine

2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine (PubChem CID 139691675) has the molecular formula C24H35FN2 and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine
PubChem CID139691675
Molecular FormulaC24H35FN2
Molecular Weight370.56 g/mol
Exact Mass370.28
IUPAC Name2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(CCCC(C)F)cc2)nc1
InChIInChI=1S/C24H35FN2/c1-3-4-5-6-7-8-9-12-22-18-26-24(27-19-22)23-16-14-21(15-17-23)13-10-11-20(2)25/h14-20H,3-13H2,1-2H3
InChIKeyYYTWXXLWCGZERZ-UHFFFAOYSA-N
XLogP7.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.12
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-fluoropentyl)phenyl]-5-octylpyrimidine
CID 139691673
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
5-decoxy-2-[4-(6-fluoroheptyl)phenyl]pyrimidine
CID 22358436
5-hexyl-2-[4-(8-methylnonyl)phenyl]pyrimidine
CID 139626601
2-[4-(6-methylheptyl)phenyl]-5-tridecylpyrimidine
CID 139803505
5-(9-methyldecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine?
The IUPAC name of 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine (CID 139691675) is 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine.
What is the SMILES notation for 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine?
The canonical SMILES for 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine is CCCCCCCCCc1cnc(-c2ccc(CCCC(C)F)cc2)nc1.
What is the InChIKey of 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine?
The InChIKey is YYTWXXLWCGZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN2/c1-3-4-5-6-7-8-9-12-22-18-26-24(27-19-22)23-16-14-21(15-17-23)13-10-11-20(2)25/h14-20H,3-13H2,1-2H3.
What are the key properties of 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine?
2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine has a molecular weight of 370.56 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine is sourced from PubChem (CID 139691675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).