2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine

C28H28N2 — CID 58261754

IUPAC2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C28H28N2/c1-19-6-10-21(11-7-19)25-18-26(22-12-8-20(2)9-13-22)30-27(29-25)23-14-16-24(17-15-23)28(3,4)5/h6-18H,1-5H3
InChIKeyJYFIAVLKPFNZNA-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.39
Rot. Bonds3

About 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine

2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine (PubChem CID 58261754) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
PubChem CID58261754
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C28H28N2/c1-19-6-10-21(11-7-19)25-18-26(22-12-8-20(2)9-13-22)30-27(29-25)23-14-16-24(17-15-23)28(3,4)5/h6-18H,1-5H3
InChIKeyJYFIAVLKPFNZNA-UHFFFAOYSA-N
XLogP7.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine?
The IUPAC name of 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine (CID 58261754) is 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine?
The InChIKey is JYFIAVLKPFNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-19-6-10-21(11-7-19)25-18-26(22-12-8-20(2)9-13-22)30-27(29-25)23-14-16-24(17-15-23)28(3,4)5/h6-18H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine?
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine has a molecular weight of 392.55 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine is sourced from PubChem (CID 58261754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).