2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine

C7H8Cl2N2O2S2 — CID 79633255

IUPAC2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCS(=O)(=O)CCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyAOVKJQNJJREUQJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.92
Rot. Bonds4

About 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine

2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine (PubChem CID 79633255) has the molecular formula C7H8Cl2N2O2S2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
PubChem CID79633255
Molecular FormulaC7H8Cl2N2O2S2
Molecular Weight287.19 g/mol
Exact Mass285.94
IUPAC Name2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCS(=O)(=O)CCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2N2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyAOVKJQNJJREUQJ-UHFFFAOYSA-N
XLogP1.92
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine (CID 79633255) is 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine is CS(=O)(=O)CCSc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The InChIKey is AOVKJQNJJREUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine has a molecular weight of 287.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine is sourced from PubChem (CID 79633255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).