4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine

C6H5ClFIN2S — CID 58570316

IUPAC4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(I)c(CF)n1
InChIInChI=1S/C6H5ClFIN2S/c1-12-6-10-3(2-8)4(9)5(7)11-6/h2H2,1H3
InChIKeyKSAXCKNVAXARMX-UHFFFAOYSA-N
MW318.54 g/mol
LogP2.93
Rot. Bonds2

About 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine

4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine (PubChem CID 58570316) has the molecular formula C6H5ClFIN2S and a molecular weight of 318.54 g/mol. Its IUPAC name is 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine
PubChem CID58570316
Molecular FormulaC6H5ClFIN2S
Molecular Weight318.54 g/mol
Exact Mass317.89
IUPAC Name4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(I)c(CF)n1
InChIInChI=1S/C6H5ClFIN2S/c1-12-6-10-3(2-8)4(9)5(7)11-6/h2H2,1H3
InChIKeyKSAXCKNVAXARMX-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-6-methyl-2-(methylthio)pyrimidine
CID 241163
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248063
4-Chloro-5-iodo-6-methylpyrimidine
CID 12795369
4-Chloro-5-iodo-6-methyl-2-(methylthio)pyrimidine
CID 13636518
4-Chloro-5,6-dimethyl-2-(methylthio)pyrimidine
CID 20604134
2,4-Dichloro-5-fluoro-6-methylpyrimidine
CID 24903513
4-Chloro-6-(difluoromethyl)-2-(methylthio)pyrimidine
CID 56972980
4,5-Dichloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 332713
5-Bromo-4-chloro-6-methyl-2-(methylthio)pyrimidine
CID 263422
4-Chloro-2-ethyl-5-fluoro-6-methylpyrimidine
CID 66000029
4,5-Dichloro-6-methyl-2-methylsulphonyl-pyrimidine
CID 28827
4-Chloro-5-iodo-2,6-dimethylpyrimidine
CID 1491117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine (CID 58570316) is 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(I)c(CF)n1.
What is the InChIKey of 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine?
The InChIKey is KSAXCKNVAXARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFIN2S/c1-12-6-10-3(2-8)4(9)5(7)11-6/h2H2,1H3.
What are the key properties of 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine?
4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine has a molecular weight of 318.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(fluoromethyl)-5-iodo-2-methylsulfanylpyrimidine is sourced from PubChem (CID 58570316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).