5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine

C19H12FN3S — CID 23000382

IUPAC5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine
SMILESFc1ccc(-c2cnc(-c3cccs3)nc2-c2ccncc2)cc1
InChIInChI=1S/C19H12FN3S/c20-15-5-3-13(4-6-15)16-12-22-19(17-2-1-11-24-17)23-18(16)14-7-9-21-10-8-14/h1-12H
InChIKeyHOPCLZFUVJYHMS-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.07
Rot. Bonds3

About 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine

5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine (PubChem CID 23000382) has the molecular formula C19H12FN3S and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine
PubChem CID23000382
Molecular FormulaC19H12FN3S
Molecular Weight333.39 g/mol
Exact Mass333.07
IUPAC Name5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine
SMILESFc1ccc(-c2cnc(-c3cccs3)nc2-c2ccncc2)cc1
InChIInChI=1S/C19H12FN3S/c20-15-5-3-13(4-6-15)16-12-22-19(17-2-1-11-24-17)23-18(16)14-7-9-21-10-8-14/h1-12H
InChIKeyHOPCLZFUVJYHMS-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine (CID 23000382) is 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine is Fc1ccc(-c2cnc(-c3cccs3)nc2-c2ccncc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine?
The InChIKey is HOPCLZFUVJYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3S/c20-15-5-3-13(4-6-15)16-12-22-19(17-2-1-11-24-17)23-18(16)14-7-9-21-10-8-14/h1-12H.
What are the key properties of 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine?
5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine has a molecular weight of 333.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 23000382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).