4,6-dimethoxy-2-methylsulfanylpyrimidine

C7H10N2O2S — CID 2746756

IUPAC4,6-dimethoxy-2-methylsulfanylpyrimidine
SMILESCOc1cc(OC)nc(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKeyURSYQIBBJXLQBW-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.22
Rot. Bonds3

About 4,6-dimethoxy-2-methylsulfanylpyrimidine

4,6-dimethoxy-2-methylsulfanylpyrimidine (PubChem CID 2746756) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-methylsulfanylpyrimidine
PubChem CID2746756
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4,6-dimethoxy-2-methylsulfanylpyrimidine
SMILESCOc1cc(OC)nc(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKeyURSYQIBBJXLQBW-UHFFFAOYSA-N
XLogP1.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-methylsulfanylpyrimidine (CID 2746756) is 4,6-dimethoxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-methylsulfanylpyrimidine is COc1cc(OC)nc(SC)n1.
What is the InChIKey of 4,6-dimethoxy-2-methylsulfanylpyrimidine?
The InChIKey is URSYQIBBJXLQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-methylsulfanylpyrimidine?
4,6-dimethoxy-2-methylsulfanylpyrimidine has a molecular weight of 186.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 2746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).