5-butyl-2-(4-butylphenyl)pyrimidine

C18H24N2 — CID 614558

IUPAC5-butyl-2-(4-butylphenyl)pyrimidine
SMILESCCCCc1ccc(-c2ncc(CCCC)cn2)cc1
InChIInChI=1S/C18H24N2/c1-3-5-7-15-9-11-17(12-10-15)18-19-13-16(14-20-18)8-6-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMGNVKGLSCFGZDU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.83
Rot. Bonds7

About 5-butyl-2-(4-butylphenyl)pyrimidine

5-butyl-2-(4-butylphenyl)pyrimidine (PubChem CID 614558) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-butyl-2-(4-butylphenyl)pyrimidine.

Molecular Properties

Compound Name5-butyl-2-(4-butylphenyl)pyrimidine
PubChem CID614558
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-butyl-2-(4-butylphenyl)pyrimidine
SMILESCCCCc1ccc(-c2ncc(CCCC)cn2)cc1
InChIInChI=1S/C18H24N2/c1-3-5-7-15-9-11-17(12-10-15)18-19-13-16(14-20-18)8-6-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMGNVKGLSCFGZDU-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
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-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
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 5-butyl-2-(4-butylphenyl)pyrimidine?
The IUPAC name of 5-butyl-2-(4-butylphenyl)pyrimidine (CID 614558) is 5-butyl-2-(4-butylphenyl)pyrimidine.
What is the SMILES notation for 5-butyl-2-(4-butylphenyl)pyrimidine?
The canonical SMILES for 5-butyl-2-(4-butylphenyl)pyrimidine is CCCCc1ccc(-c2ncc(CCCC)cn2)cc1.
What is the InChIKey of 5-butyl-2-(4-butylphenyl)pyrimidine?
The InChIKey is MGNVKGLSCFGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-5-7-15-9-11-17(12-10-15)18-19-13-16(14-20-18)8-6-4-2/h9-14H,3-8H2,1-2H3.
What are the key properties of 5-butyl-2-(4-butylphenyl)pyrimidine?
5-butyl-2-(4-butylphenyl)pyrimidine has a molecular weight of 268.40 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-butylphenyl)pyrimidine is sourced from PubChem (CID 614558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).