2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine

C23H26N2 — CID 20625407

IUPAC2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
SMILESCCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1
InChIInChI=1S/C23H26N2/c1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23/h8-17H,3-7H2,1-2H3
InChIKeySIKNPGQCSYRICW-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.11
Rot. Bonds7

About 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine

2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine (PubChem CID 20625407) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
PubChem CID20625407
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
SMILESCCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1
InChIInChI=1S/C23H26N2/c1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23/h8-17H,3-7H2,1-2H3
InChIKeySIKNPGQCSYRICW-UHFFFAOYSA-N
XLogP6.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
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
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine (CID 20625407) is 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine is CCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1.
What is the InChIKey of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine?
The InChIKey is SIKNPGQCSYRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23/h8-17H,3-7H2,1-2H3.
What are the key properties of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine?
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine has a molecular weight of 330.48 g/mol, XLogP of 6.11, 7 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]-5-propylpyrimidine is sourced from PubChem (CID 20625407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).