4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine

C12H10ClFN2S — CID 63732482

IUPAC4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
SMILESCCc1c(Cl)ncnc1Sc1ccccc1F
InChIInChI=1S/C12H10ClFN2S/c1-2-8-11(13)15-7-16-12(8)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
InChIKeyUABKBINDRVNWJW-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.98
Rot. Bonds3

About 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine

4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine (PubChem CID 63732482) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
PubChem CID63732482
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
SMILESCCc1c(Cl)ncnc1Sc1ccccc1F
InChIInChI=1S/C12H10ClFN2S/c1-2-8-11(13)15-7-16-12(8)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
InChIKeyUABKBINDRVNWJW-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 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine (CID 63732482) is 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine is CCc1c(Cl)ncnc1Sc1ccccc1F.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine?
The InChIKey is UABKBINDRVNWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c1-2-8-11(13)15-7-16-12(8)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine?
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine 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 4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 63732482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).