4-(4-fluorophenyl)sulfanylpyrimidine

C10H7FN2S — CID 142013083

IUPAC4-(4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-1-3-9(4-2-8)14-10-5-6-12-7-13-10/h1-7H
InChIKeyWGPDPQLBFXHQNX-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.77
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylpyrimidine

4-(4-fluorophenyl)sulfanylpyrimidine (PubChem CID 142013083) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylpyrimidine
PubChem CID142013083
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name4-(4-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-1-3-9(4-2-8)14-10-5-6-12-7-13-10/h1-7H
InChIKeyWGPDPQLBFXHQNX-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanylpyrimidine (CID 142013083) is 4-(4-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylpyrimidine is Fc1ccc(Sc2ccncn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylpyrimidine?
The InChIKey is WGPDPQLBFXHQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-8-1-3-9(4-2-8)14-10-5-6-12-7-13-10/h1-7H.
What are the key properties of 4-(4-fluorophenyl)sulfanylpyrimidine?
4-(4-fluorophenyl)sulfanylpyrimidine has a molecular weight of 206.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 142013083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).