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

C6H6Cl2N2OS — CID 15003627

IUPAC4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
SMILESCOc1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyOARJVJCNEZWMCZ-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.51
Rot. Bonds2

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

4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine (PubChem CID 15003627) has the molecular formula C6H6Cl2N2OS and a molecular weight of 225.10 g/mol. Its IUPAC name is 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
PubChem CID15003627
Molecular FormulaC6H6Cl2N2OS
Molecular Weight225.10 g/mol
Exact Mass223.96
IUPAC Name4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
SMILESCOc1c(Cl)nc(SC)nc1Cl
InChIInChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyOARJVJCNEZWMCZ-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine (CID 15003627) is 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine is COc1c(Cl)nc(SC)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
The InChIKey is OARJVJCNEZWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2OS/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3.
What are the key properties of 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine?
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine has a molecular weight of 225.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 15003627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).