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

C8H11ClN2O2S2 — CID 77230708

IUPAC5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine
SMILESCSc1nc(C)c(Cl)c(CS(C)(=O)=O)n1
InChIInChI=1S/C8H11ClN2O2S2/c1-5-7(9)6(4-15(3,12)13)11-8(10-5)14-2/h4H2,1-3H3
InChIKeyALVMDRQTWSICIJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.70
Rot. Bonds3

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

5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine (PubChem CID 77230708) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine
PubChem CID77230708
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.77 g/mol
Exact Mass266.00
IUPAC Name5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine
SMILESCSc1nc(C)c(Cl)c(CS(C)(=O)=O)n1
InChIInChI=1S/C8H11ClN2O2S2/c1-5-7(9)6(4-15(3,12)13)11-8(10-5)14-2/h4H2,1-3H3
InChIKeyALVMDRQTWSICIJ-UHFFFAOYSA-N
XLogP1.70
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine (CID 77230708) is 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine is CSc1nc(C)c(Cl)c(CS(C)(=O)=O)n1.
What is the InChIKey of 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine?
The InChIKey is ALVMDRQTWSICIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c1-5-7(9)6(4-15(3,12)13)11-8(10-5)14-2/h4H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine?
5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine has a molecular weight of 266.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 77230708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).