4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine

C14H7Cl2FN2S — CID 79438292

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccsc3)nc2Cl)cc1
InChIInChI=1S/C14H7Cl2FN2S/c15-12-11(8-1-3-10(17)4-2-8)13(16)19-14(18-12)9-5-6-20-7-9/h1-7H
InChIKeyGFFYQSKFONJLJC-UHFFFAOYSA-N
MW325.20 g/mol
LogP5.32
Rot. Bonds2

About 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine

4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine (PubChem CID 79438292) has the molecular formula C14H7Cl2FN2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
PubChem CID79438292
Molecular FormulaC14H7Cl2FN2S
Molecular Weight325.20 g/mol
Exact Mass323.97
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccsc3)nc2Cl)cc1
InChIInChI=1S/C14H7Cl2FN2S/c15-12-11(8-1-3-10(17)4-2-8)13(16)19-14(18-12)9-5-6-20-7-9/h1-7H
InChIKeyGFFYQSKFONJLJC-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.20
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine (CID 79438292) is 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine is Fc1ccc(-c2c(Cl)nc(-c3ccsc3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine?
The InChIKey is GFFYQSKFONJLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2S/c15-12-11(8-1-3-10(17)4-2-8)13(16)19-14(18-12)9-5-6-20-7-9/h1-7H.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine has a molecular weight of 325.20 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine is sourced from PubChem (CID 79438292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).