2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine

C22H24N2O — CID 67858800

IUPAC2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
SMILESCCc1ccc(-c2ccc(-c3ncc(CCCOC)cn3)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-3-17-6-8-19(9-7-17)20-10-12-21(13-11-20)22-23-15-18(16-24-22)5-4-14-25-2/h6-13,15-16H,3-5,14H2,1-2H3
InChIKeyGBVWAYRFCVOSMB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.95
Rot. Bonds7

About 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine

2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine (PubChem CID 67858800) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
PubChem CID67858800
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
SMILESCCc1ccc(-c2ccc(-c3ncc(CCCOC)cn3)cc2)cc1
InChIInChI=1S/C22H24N2O/c1-3-17-6-8-19(9-7-17)20-10-12-21(13-11-20)22-23-15-18(16-24-22)5-4-14-25-2/h6-13,15-16H,3-5,14H2,1-2H3
InChIKeyGBVWAYRFCVOSMB-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.95
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

2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
CID 19891536
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
CID 21288703
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine?
The IUPAC name of 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine (CID 67858800) is 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine?
The canonical SMILES for 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine is CCc1ccc(-c2ccc(-c3ncc(CCCOC)cn3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine?
The InChIKey is GBVWAYRFCVOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-17-6-8-19(9-7-17)20-10-12-21(13-11-20)22-23-15-18(16-24-22)5-4-14-25-2/h6-13,15-16H,3-5,14H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine?
2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine has a molecular weight of 332.45 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine is sourced from PubChem (CID 67858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).