4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine

C5H3Cl2IN2S — CID 59405055

IUPAC4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2S/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyCSALCFDNQLMLGG-UHFFFAOYSA-N
MW320.97 g/mol
LogP3.11
Rot. Bonds1

About 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine

4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine (PubChem CID 59405055) has the molecular formula C5H3Cl2IN2S and a molecular weight of 320.97 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine
PubChem CID59405055
Molecular FormulaC5H3Cl2IN2S
Molecular Weight320.97 g/mol
Exact Mass319.84
IUPAC Name4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2S/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyCSALCFDNQLMLGG-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.97
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine (CID 59405055) is 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine?
The InChIKey is CSALCFDNQLMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2IN2S/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine?
4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine has a molecular weight of 320.97 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-methylsulfanylpyrimidine is sourced from PubChem (CID 59405055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).