4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine

C12H10ClFN2S — CID 67542493

IUPAC4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(Sc2ccc(Cl)cc2)c1F
InChIInChI=1S/C12H10ClFN2S/c1-2-10-11(14)12(16-7-15-10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyKNEBYEIWIJCDKN-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.98
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine

4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine (PubChem CID 67542493) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine
PubChem CID67542493
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(Sc2ccc(Cl)cc2)c1F
InChIInChI=1S/C12H10ClFN2S/c1-2-10-11(14)12(16-7-15-10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyKNEBYEIWIJCDKN-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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Related Compounds

4-(4-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11381029
acs.jmedchem.1c00409_ST.259
CID 145961183
4-(4-Chlorophenylthio)-6-methyl-2-(pyridin-2-yl)pyrimidine
CID 2725933
5-[(4-Chlorophenyl)sulfanyl]-4-methyl-2-pyrimidinylamine
CID 1475314
N-[4-[(4-chlorophenyl)sulfanyl]-6-(trifluoromethyl)-2-pyrimidinyl]-N-ethylamine
CID 1483194
4-(4-Chlorophenyl)sulfanyl-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 2745452
4-(3,5-Dichlorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 137647022
2-(3-Chlorophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
CID 172436575
Pyrimidine, 2,4-diamino-5-(p-chlorophenylthio)-6-ethyl-
CID 23423605
(6-Chloro-2-methylsulfanylpyrimidin-4-yl)methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 162396784
4-(Benzenesulfinylmethyl)-6-chloro-2-methylsulfanylpyrimidine
CID 162396821
4-Chlorophenyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl sulfide
CID 1475336

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine (CID 67542493) is 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine is CCc1ncnc(Sc2ccc(Cl)cc2)c1F.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine?
The InChIKey is KNEBYEIWIJCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c1-2-10-11(14)12(16-7-15-10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine?
4-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine 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-(4-chlorophenyl)sulfanyl-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 67542493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).