2-[4-(4-butylphenyl)phenyl]pyrimidine

C20H20N2 — CID 57129115

IUPAC2-[4-(4-butylphenyl)phenyl]pyrimidine
SMILESCCCCc1ccc(-c2ccc(-c3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N2/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-21-14-4-15-22-20/h4,6-15H,2-3,5H2,1H3
InChIKeyHGVGBHHLJAGKAL-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.15
Rot. Bonds5

About 2-[4-(4-butylphenyl)phenyl]pyrimidine

2-[4-(4-butylphenyl)phenyl]pyrimidine (PubChem CID 57129115) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(4-butylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-butylphenyl)phenyl]pyrimidine
PubChem CID57129115
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-[4-(4-butylphenyl)phenyl]pyrimidine
SMILESCCCCc1ccc(-c2ccc(-c3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N2/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-21-14-4-15-22-20/h4,6-15H,2-3,5H2,1H3
InChIKeyHGVGBHHLJAGKAL-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(4-butylphenyl)phenyl]pyrimidine (CID 57129115) is 2-[4-(4-butylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(4-butylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(4-butylphenyl)phenyl]pyrimidine is CCCCc1ccc(-c2ccc(-c3ncccn3)cc2)cc1.
What is the InChIKey of 2-[4-(4-butylphenyl)phenyl]pyrimidine?
The InChIKey is HGVGBHHLJAGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-21-14-4-15-22-20/h4,6-15H,2-3,5H2,1H3.
What are the key properties of 2-[4-(4-butylphenyl)phenyl]pyrimidine?
2-[4-(4-butylphenyl)phenyl]pyrimidine has a molecular weight of 288.39 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 57129115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).