4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine

C6H6Cl2N2O2S — CID 28827

IUPAC4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1nc(S(C)(=O)=O)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c1-3-4(7)5(8)10-6(9-3)13(2,11)12/h1-2H3
InChIKeyNZXOCWXWWQNPOF-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.50
Rot. Bonds1

About 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine

4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine (PubChem CID 28827) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine
PubChem CID28827
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1nc(S(C)(=O)=O)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c1-3-4(7)5(8)10-6(9-3)13(2,11)12/h1-2H3
InChIKeyNZXOCWXWWQNPOF-UHFFFAOYSA-N
XLogP1.50
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine (CID 28827) is 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine is Cc1nc(S(C)(=O)=O)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine?
The InChIKey is NZXOCWXWWQNPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c1-3-4(7)5(8)10-6(9-3)13(2,11)12/h1-2H3.
What are the key properties of 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine?
4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine has a molecular weight of 241.10 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 28827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).