5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine

C29H38N2O — CID 15918494

IUPAC5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1
InChIInChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(11-4-2)14-16-25/h13-22H,3-12,23H2,1-2H3
InChIKeyXADWHSAAEVQFNW-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.97
Rot. Bonds14

About 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine

5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine (PubChem CID 15918494) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
PubChem CID15918494
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC Name5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1
InChIInChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(11-4-2)14-16-25/h13-22H,3-12,23H2,1-2H3
InChIKeyXADWHSAAEVQFNW-UHFFFAOYSA-N
XLogP7.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757
5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
CID 21288703
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
CID 21288727
2-(4-heptylphenyl)-5-[(4-hexylphenyl)methoxy]pyrimidine
CID 19992759
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
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474

Frequently Asked Questions

What is the IUPAC name of 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The IUPAC name of 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine (CID 15918494) is 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine.
What is the SMILES notation for 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The canonical SMILES for 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine is CCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1.
What is the InChIKey of 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The InChIKey is XADWHSAAEVQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(11-4-2)14-16-25/h13-22H,3-12,23H2,1-2H3.
What are the key properties of 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine has a molecular weight of 430.64 g/mol, XLogP of 7.97, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine is sourced from PubChem (CID 15918494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).