4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine

C6H6Cl2N2O2S — CID 58137114

IUPAC4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2O2S/c1-13(11,12)3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyXILOXVPSHDYAFO-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.33
Rot. Bonds2

About 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine

4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine (PubChem CID 58137114) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
PubChem CID58137114
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C6H6Cl2N2O2S/c1-13(11,12)3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyXILOXVPSHDYAFO-UHFFFAOYSA-N
XLogP1.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine (CID 58137114) is 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine is CS(=O)(=O)Cc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine?
The InChIKey is XILOXVPSHDYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c1-13(11,12)3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3.
What are the key properties of 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine?
4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine has a molecular weight of 241.10 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 58137114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).