4-chloro-5-methyl-2-methylsulfonylpyrimidine

C6H7ClN2O2S — CID 11275775

IUPAC4-chloro-5-methyl-2-methylsulfonylpyrimidine
SMILESCc1cnc(S(C)(=O)=O)nc1Cl
InChIInChI=1S/C6H7ClN2O2S/c1-4-3-8-6(9-5(4)7)12(2,10)11/h3H,1-2H3
InChIKeyWIBJFLAPPUYODA-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.84
Rot. Bonds1

About 4-chloro-5-methyl-2-methylsulfonylpyrimidine

4-chloro-5-methyl-2-methylsulfonylpyrimidine (PubChem CID 11275775) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-methylsulfonylpyrimidine
PubChem CID11275775
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name4-chloro-5-methyl-2-methylsulfonylpyrimidine
SMILESCc1cnc(S(C)(=O)=O)nc1Cl
InChIInChI=1S/C6H7ClN2O2S/c1-4-3-8-6(9-5(4)7)12(2,10)11/h3H,1-2H3
InChIKeyWIBJFLAPPUYODA-UHFFFAOYSA-N
XLogP0.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-methylsulfonylpyrimidine (CID 11275775) is 4-chloro-5-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-methylsulfonylpyrimidine is Cc1cnc(S(C)(=O)=O)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-methylsulfonylpyrimidine?
The InChIKey is WIBJFLAPPUYODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-4-3-8-6(9-5(4)7)12(2,10)11/h3H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-methylsulfonylpyrimidine?
4-chloro-5-methyl-2-methylsulfonylpyrimidine has a molecular weight of 206.65 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 11275775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).