methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate

C9H12N2O4S — CID 18619149

IUPACmethyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(OC)nc(SC)n1
InChIInChI=1S/C9H12N2O4S/c1-13-6-4-7(11-9(10-6)16-3)15-5-8(12)14-2/h4H,5H2,1-3H3
InChIKeyGJHSUZWSRQOVKH-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate

methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate (PubChem CID 18619149) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate
PubChem CID18619149
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(OC)nc(SC)n1
InChIInChI=1S/C9H12N2O4S/c1-13-6-4-7(11-9(10-6)16-3)15-5-8(12)14-2/h4H,5H2,1-3H3
InChIKeyGJHSUZWSRQOVKH-UHFFFAOYSA-N
XLogP0.76
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The IUPAC name of methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate (CID 18619149) is methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate is COC(=O)COc1cc(OC)nc(SC)n1.
What is the InChIKey of methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The InChIKey is GJHSUZWSRQOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-13-6-4-7(11-9(10-6)16-3)15-5-8(12)14-2/h4H,5H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate has a molecular weight of 244.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 18619149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).