4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine

C16H11FN2OS — CID 56575603

IUPAC4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
SMILESFc1ccc(Oc2ccnc(Sc3ccccc3)n2)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)20-15-10-11-18-16(19-15)21-14-4-2-1-3-5-14/h1-11H
InChIKeyIGPVEGXZBMGVTF-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.56
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine

4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine (PubChem CID 56575603) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
PubChem CID56575603
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
SMILESFc1ccc(Oc2ccnc(Sc3ccccc3)n2)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)20-15-10-11-18-16(19-15)21-14-4-2-1-3-5-14/h1-11H
InChIKeyIGPVEGXZBMGVTF-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine (CID 56575603) is 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine is Fc1ccc(Oc2ccnc(Sc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine?
The InChIKey is IGPVEGXZBMGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)20-15-10-11-18-16(19-15)21-14-4-2-1-3-5-14/h1-11H.
What are the key properties of 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine?
4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine has a molecular weight of 298.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine is sourced from PubChem (CID 56575603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).