2,4-dichloro-6-methylsulfanylpyrimidine

C5H4Cl2N2S — CID 19693883

IUPAC2,4-dichloro-6-methylsulfanylpyrimidine
SMILESCSc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyOYUCPHYZEOODST-UHFFFAOYSA-N
MW195.07 g/mol
LogP2.51
Rot. Bonds1

About 2,4-dichloro-6-methylsulfanylpyrimidine

2,4-dichloro-6-methylsulfanylpyrimidine (PubChem CID 19693883) has the molecular formula C5H4Cl2N2S and a molecular weight of 195.07 g/mol. Its IUPAC name is 2,4-dichloro-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methylsulfanylpyrimidine
PubChem CID19693883
Molecular FormulaC5H4Cl2N2S
Molecular Weight195.07 g/mol
Exact Mass193.95
IUPAC Name2,4-dichloro-6-methylsulfanylpyrimidine
SMILESCSc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyOYUCPHYZEOODST-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylsulfanylpyrimidine?
The IUPAC name of 2,4-dichloro-6-methylsulfanylpyrimidine (CID 19693883) is 2,4-dichloro-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methylsulfanylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-methylsulfanylpyrimidine is CSc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-methylsulfanylpyrimidine?
The InChIKey is OYUCPHYZEOODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3.
What are the key properties of 2,4-dichloro-6-methylsulfanylpyrimidine?
2,4-dichloro-6-methylsulfanylpyrimidine has a molecular weight of 195.07 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylsulfanylpyrimidine is sourced from PubChem (CID 19693883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).