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

C6H6Cl2N2S — CID 22002465

IUPAC4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C6H6Cl2N2S/c1-3-4(7)9-6(11-2)10-5(3)8/h1-2H3
InChIKeyHMZPZWSEUHDAKM-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.81
Rot. Bonds1

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

4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine (PubChem CID 22002465) has the molecular formula C6H6Cl2N2S and a molecular weight of 209.10 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine
PubChem CID22002465
Molecular FormulaC6H6Cl2N2S
Molecular Weight209.10 g/mol
Exact Mass207.96
IUPAC Name4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C6H6Cl2N2S/c1-3-4(7)9-6(11-2)10-5(3)8/h1-2H3
InChIKeyHMZPZWSEUHDAKM-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine (CID 22002465) is 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine?
The InChIKey is HMZPZWSEUHDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2S/c1-3-4(7)9-6(11-2)10-5(3)8/h1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine?
4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine has a molecular weight of 209.10 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 22002465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).