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

C6H6Cl2N2S — CID 19846693

IUPAC2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)nc(C)c1Cl
InChIInChI=1S/C6H6Cl2N2S/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3
InChIKeyFVSCIONRFLHVNL-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.81
Rot. Bonds1

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

2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine (PubChem CID 19846693) has the molecular formula C6H6Cl2N2S and a molecular weight of 209.10 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine
PubChem CID19846693
Molecular FormulaC6H6Cl2N2S
Molecular Weight209.10 g/mol
Exact Mass207.96
IUPAC Name2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)nc(C)c1Cl
InChIInChI=1S/C6H6Cl2N2S/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3
InChIKeyFVSCIONRFLHVNL-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 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine (CID 19846693) is 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine is CSc1nc(Cl)nc(C)c1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine?
The InChIKey is FVSCIONRFLHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2S/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine?
2,5-dichloro-4-methyl-6-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 2,5-dichloro-4-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 19846693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).