2,5-bis(4-butylphenyl)pyrimidine

C24H28N2 — CID 59931185

IUPAC2,5-bis(4-butylphenyl)pyrimidine
SMILESCCCCc1ccc(-c2cnc(-c3ccc(CCCC)cc3)nc2)cc1
InChIInChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-25-24(26-18-23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3
InChIKeyHKHHBVZRRRMTTR-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.50
Rot. Bonds8

About 2,5-bis(4-butylphenyl)pyrimidine

2,5-bis(4-butylphenyl)pyrimidine (PubChem CID 59931185) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2,5-bis(4-butylphenyl)pyrimidine.

Molecular Properties

Compound Name2,5-bis(4-butylphenyl)pyrimidine
PubChem CID59931185
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name2,5-bis(4-butylphenyl)pyrimidine
SMILESCCCCc1ccc(-c2cnc(-c3ccc(CCCC)cc3)nc2)cc1
InChIInChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-25-24(26-18-23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3
InChIKeyHKHHBVZRRRMTTR-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-butylphenyl)pyrimidine?
The IUPAC name of 2,5-bis(4-butylphenyl)pyrimidine (CID 59931185) is 2,5-bis(4-butylphenyl)pyrimidine.
What is the SMILES notation for 2,5-bis(4-butylphenyl)pyrimidine?
The canonical SMILES for 2,5-bis(4-butylphenyl)pyrimidine is CCCCc1ccc(-c2cnc(-c3ccc(CCCC)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis(4-butylphenyl)pyrimidine?
The InChIKey is HKHHBVZRRRMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-25-24(26-18-23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3.
What are the key properties of 2,5-bis(4-butylphenyl)pyrimidine?
2,5-bis(4-butylphenyl)pyrimidine has a molecular weight of 344.50 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-butylphenyl)pyrimidine is sourced from PubChem (CID 59931185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).