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

C30H40N2O — CID 21288757

IUPAC5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1
InChIInChI=1S/C30H40N2O/c1-3-5-6-7-8-9-10-11-13-27-22-31-30(32-23-27)28-18-20-29(21-19-28)33-24-26-16-14-25(12-4-2)15-17-26/h14-23H,3-13,24H2,1-2H3
InChIKeyTUROKRLETSFZKR-UHFFFAOYSA-N
MW444.66 g/mol
LogP8.36
Rot. Bonds15

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

5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine (PubChem CID 21288757) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
PubChem CID21288757
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC Name5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1
InChIInChI=1S/C30H40N2O/c1-3-5-6-7-8-9-10-11-13-27-22-31-30(32-23-27)28-18-20-29(21-19-28)33-24-26-16-14-25(12-4-2)15-17-26/h14-23H,3-13,24H2,1-2H3
InChIKeyTUROKRLETSFZKR-UHFFFAOYSA-N
XLogP8.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 58.36
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-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
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-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The IUPAC name of 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine (CID 21288757) is 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine.
What is the SMILES notation for 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The canonical SMILES for 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine is CCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(CCC)cc3)cc2)nc1.
What is the InChIKey of 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
The InChIKey is TUROKRLETSFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-3-5-6-7-8-9-10-11-13-27-22-31-30(32-23-27)28-18-20-29(21-19-28)33-24-26-16-14-25(12-4-2)15-17-26/h14-23H,3-13,24H2,1-2H3.
What are the key properties of 5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine?
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine has a molecular weight of 444.66 g/mol, XLogP of 8.36, 15 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-propylphenyl)methoxy]phenyl]pyrimidine is sourced from PubChem (CID 21288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).