5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine

C29H38N2O — CID 21288703

IUPAC5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CC)cc3)cc2)nc1
InChIInChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-11-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(4-2)14-16-25/h13-22H,3-12,23H2,1-2H3
InChIKeyINLDOLHGFOVQJQ-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.97
Rot. Bonds14

About 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine

5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine (PubChem CID 21288703) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
PubChem CID21288703
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC Name5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CC)cc3)cc2)nc1
InChIInChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-11-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(4-2)14-16-25/h13-22H,3-12,23H2,1-2H3
InChIKeyINLDOLHGFOVQJQ-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'}

Analyze 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
CID 21288727
2-(4-heptylphenyl)-5-[(4-hexylphenyl)methoxy]pyrimidine
CID 19992759
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine?
The IUPAC name of 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine (CID 21288703) is 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine.
What is the SMILES notation for 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine?
The canonical SMILES for 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine is CCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CC)cc3)cc2)nc1.
What is the InChIKey of 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine?
The InChIKey is INLDOLHGFOVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-3-5-6-7-8-9-10-11-12-26-21-30-29(31-22-26)27-17-19-28(20-18-27)32-23-25-15-13-24(4-2)14-16-25/h13-22H,3-12,23H2,1-2H3.
What are the key properties of 5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine?
5-decyl-2-[4-[(4-ethylphenyl)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-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine is sourced from PubChem (CID 21288703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).