4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine

C12H11FN2S — CID 67542101

IUPAC4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
SMILESCCc1ncnc(Sc2ccccc2)c1F
InChIInChI=1S/C12H11FN2S/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyUWVOAUAPNASQBZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.33
Rot. Bonds3

About 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine

4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine (PubChem CID 67542101) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
PubChem CID67542101
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
SMILESCCc1ncnc(Sc2ccccc2)c1F
InChIInChI=1S/C12H11FN2S/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyUWVOAUAPNASQBZ-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine (CID 67542101) is 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine is CCc1ncnc(Sc2ccccc2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The InChIKey is UWVOAUAPNASQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-2-10-11(13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine has a molecular weight of 234.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine is sourced from PubChem (CID 67542101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).