5-hexyl-2-(4-nonylphenyl)pyrimidine

C25H38N2 — CID 14227569

IUPAC5-hexyl-2-(4-nonylphenyl)pyrimidine
SMILESCCCCCCCCCc1ccc(-c2ncc(CCCCCC)cn2)cc1
InChIInChI=1S/C25H38N2/c1-3-5-7-9-10-11-13-14-22-16-18-24(19-17-22)25-26-20-23(21-27-25)15-12-8-6-4-2/h16-21H,3-15H2,1-2H3
InChIKeyIBHYWHYCYDQWOR-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.56
Rot. Bonds14

About 5-hexyl-2-(4-nonylphenyl)pyrimidine

5-hexyl-2-(4-nonylphenyl)pyrimidine (PubChem CID 14227569) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 5-hexyl-2-(4-nonylphenyl)pyrimidine.

Molecular Properties

Compound Name5-hexyl-2-(4-nonylphenyl)pyrimidine
PubChem CID14227569
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name5-hexyl-2-(4-nonylphenyl)pyrimidine
SMILESCCCCCCCCCc1ccc(-c2ncc(CCCCCC)cn2)cc1
InChIInChI=1S/C25H38N2/c1-3-5-7-9-10-11-13-14-22-16-18-24(19-17-22)25-26-20-23(21-27-25)15-12-8-6-4-2/h16-21H,3-15H2,1-2H3
InChIKeyIBHYWHYCYDQWOR-UHFFFAOYSA-N
XLogP7.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.56
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

5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
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
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
5-(8-methylnonyl)-2-(4-nonylphenyl)pyrimidine
CID 139601503
2-(4-hexylphenyl)-5-(9-methyldecyl)pyrimidine
CID 139803492

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-(4-nonylphenyl)pyrimidine?
The IUPAC name of 5-hexyl-2-(4-nonylphenyl)pyrimidine (CID 14227569) is 5-hexyl-2-(4-nonylphenyl)pyrimidine.
What is the SMILES notation for 5-hexyl-2-(4-nonylphenyl)pyrimidine?
The canonical SMILES for 5-hexyl-2-(4-nonylphenyl)pyrimidine is CCCCCCCCCc1ccc(-c2ncc(CCCCCC)cn2)cc1.
What is the InChIKey of 5-hexyl-2-(4-nonylphenyl)pyrimidine?
The InChIKey is IBHYWHYCYDQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2/c1-3-5-7-9-10-11-13-14-22-16-18-24(19-17-22)25-26-20-23(21-27-25)15-12-8-6-4-2/h16-21H,3-15H2,1-2H3.
What are the key properties of 5-hexyl-2-(4-nonylphenyl)pyrimidine?
5-hexyl-2-(4-nonylphenyl)pyrimidine has a molecular weight of 366.59 g/mol, XLogP of 7.56, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(4-nonylphenyl)pyrimidine is sourced from PubChem (CID 14227569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).