methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate

C9H12N2O4S — CID 11564995

IUPACmethyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(SC)nc(OC)c1OC
InChIInChI=1S/C9H12N2O4S/c1-13-6-5(8(12)15-3)10-9(16-4)11-7(6)14-2/h1-4H3
InChIKeyAFAOIHZEJJRJGZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.00
Rot. Bonds4

About methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate

methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate (PubChem CID 11564995) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate
PubChem CID11564995
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(SC)nc(OC)c1OC
InChIInChI=1S/C9H12N2O4S/c1-13-6-5(8(12)15-3)10-9(16-4)11-7(6)14-2/h1-4H3
InChIKeyAFAOIHZEJJRJGZ-UHFFFAOYSA-N
XLogP1.00
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate (CID 11564995) is methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate is COC(=O)c1nc(SC)nc(OC)c1OC.
What is the InChIKey of methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate?
The InChIKey is AFAOIHZEJJRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-13-6-5(8(12)15-3)10-9(16-4)11-7(6)14-2/h1-4H3.
What are the key properties of methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate?
methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate is sourced from PubChem (CID 11564995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).