4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine

C18H11FN2S2 — CID 154715841

IUPAC4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H11FN2S2/c19-15-3-1-12(2-4-15)16-9-17(13-5-7-22-10-13)21-18(20-16)14-6-8-23-11-14/h1-11H
InChIKeyXZPJDSXZLHAXMM-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.74
Rot. Bonds3

About 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine

4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine (PubChem CID 154715841) has the molecular formula C18H11FN2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine
PubChem CID154715841
Molecular FormulaC18H11FN2S2
Molecular Weight338.43 g/mol
Exact Mass338.03
IUPAC Name4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine
SMILESFc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H11FN2S2/c19-15-3-1-12(2-4-15)16-9-17(13-5-7-22-10-13)21-18(20-16)14-6-8-23-11-14/h1-11H
InChIKeyXZPJDSXZLHAXMM-UHFFFAOYSA-N
XLogP5.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine (CID 154715841) is 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine is Fc1ccc(-c2cc(-c3ccsc3)nc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine?
The InChIKey is XZPJDSXZLHAXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S2/c19-15-3-1-12(2-4-15)16-9-17(13-5-7-22-10-13)21-18(20-16)14-6-8-23-11-14/h1-11H.
What are the key properties of 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine?
4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine has a molecular weight of 338.43 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-di(thiophen-3-yl)pyrimidine is sourced from PubChem (CID 154715841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).