2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine

C12H10ClFN2S — CID 142732391

IUPAC2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
SMILESCCc1nc(Cl)nc(Sc2ccccc2)c1F
InChIInChI=1S/C12H10ClFN2S/c1-2-9-10(14)11(16-12(13)15-9)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyCICBQOWSUYSHHO-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.98
Rot. Bonds3

About 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine

2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine (PubChem CID 142732391) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
PubChem CID142732391
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine
SMILESCCc1nc(Cl)nc(Sc2ccccc2)c1F
InChIInChI=1S/C12H10ClFN2S/c1-2-9-10(14)11(16-12(13)15-9)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyCICBQOWSUYSHHO-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine (CID 142732391) is 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine is CCc1nc(Cl)nc(Sc2ccccc2)c1F.
What is the InChIKey of 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
The InChIKey is CICBQOWSUYSHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c1-2-9-10(14)11(16-12(13)15-9)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine?
2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine has a molecular weight of 268.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-fluoro-6-phenylsulfanylpyrimidine is sourced from PubChem (CID 142732391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).