5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine

C7H8BrClN2O2S — CID 66294559

IUPAC5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine
SMILESCc1nc(CS(C)(=O)=O)nc(Cl)c1Br
InChIInChI=1S/C7H8BrClN2O2S/c1-4-6(8)7(9)11-5(10-4)3-14(2,12)13/h3H2,1-2H3
InChIKeyJDDVWFATCOVDIN-UHFFFAOYSA-N
MW299.58 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine (PubChem CID 66294559) has the molecular formula C7H8BrClN2O2S and a molecular weight of 299.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine
PubChem CID66294559
Molecular FormulaC7H8BrClN2O2S
Molecular Weight299.58 g/mol
Exact Mass297.92
IUPAC Name5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine
SMILESCc1nc(CS(C)(=O)=O)nc(Cl)c1Br
InChIInChI=1S/C7H8BrClN2O2S/c1-4-6(8)7(9)11-5(10-4)3-14(2,12)13/h3H2,1-2H3
InChIKeyJDDVWFATCOVDIN-UHFFFAOYSA-N
XLogP1.75
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.58
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine (CID 66294559) is 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine is Cc1nc(CS(C)(=O)=O)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine?
The InChIKey is JDDVWFATCOVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O2S/c1-4-6(8)7(9)11-5(10-4)3-14(2,12)13/h3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine has a molecular weight of 299.58 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 66294559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).