5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine

C20H19FN2 — CID 101484197

IUPAC5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H19FN2/c1-20(2,3)17-8-4-14(5-9-17)16-12-22-19(23-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3
InChIKeyUKRSXVIAHYEFPF-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.25
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine

5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine (PubChem CID 101484197) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
PubChem CID101484197
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H19FN2/c1-20(2,3)17-8-4-14(5-9-17)16-12-22-19(23-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3
InChIKeyUKRSXVIAHYEFPF-UHFFFAOYSA-N
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine?
The IUPAC name of 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine (CID 101484197) is 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine is CC(C)(C)c1ccc(-c2cnc(-c3ccc(F)cc3)nc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine?
The InChIKey is UKRSXVIAHYEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-20(2,3)17-8-4-14(5-9-17)16-12-22-19(23-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine?
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine has a molecular weight of 306.38 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 101484197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).