4-chloro-6-methyl-2-methylsulfinylpyrimidine

C6H7ClN2OS — CID 156832139

IUPAC4-chloro-6-methyl-2-methylsulfinylpyrimidine
SMILESCc1cc(Cl)nc(S(C)=O)n1
InChIInChI=1S/C6H7ClN2OS/c1-4-3-5(7)9-6(8-4)11(2)10/h3H,1-2H3
InChIKeyRZYYLGGFICWMKW-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.18
Rot. Bonds1

About 4-chloro-6-methyl-2-methylsulfinylpyrimidine

4-chloro-6-methyl-2-methylsulfinylpyrimidine (PubChem CID 156832139) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-methylsulfinylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-methylsulfinylpyrimidine
PubChem CID156832139
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name4-chloro-6-methyl-2-methylsulfinylpyrimidine
SMILESCc1cc(Cl)nc(S(C)=O)n1
InChIInChI=1S/C6H7ClN2OS/c1-4-3-5(7)9-6(8-4)11(2)10/h3H,1-2H3
InChIKeyRZYYLGGFICWMKW-UHFFFAOYSA-N
XLogP1.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-methylsulfinylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-methylsulfinylpyrimidine (CID 156832139) is 4-chloro-6-methyl-2-methylsulfinylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-methylsulfinylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-methylsulfinylpyrimidine is Cc1cc(Cl)nc(S(C)=O)n1.
What is the InChIKey of 4-chloro-6-methyl-2-methylsulfinylpyrimidine?
The InChIKey is RZYYLGGFICWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-4-3-5(7)9-6(8-4)11(2)10/h3H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-methylsulfinylpyrimidine?
4-chloro-6-methyl-2-methylsulfinylpyrimidine has a molecular weight of 190.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-methylsulfinylpyrimidine is sourced from PubChem (CID 156832139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).