methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate

C8H9ClN2O2S — CID 63733520

IUPACmethyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc(Cl)c1C
InChIInChI=1S/C8H9ClN2O2S/c1-5-7(9)10-4-11-8(5)14-3-6(12)13-2/h4H,3H2,1-2H3
InChIKeyUOHNFIFLPSTTES-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate

methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate (PubChem CID 63733520) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate
PubChem CID63733520
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Namemethyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc(Cl)c1C
InChIInChI=1S/C8H9ClN2O2S/c1-5-7(9)10-4-11-8(5)14-3-6(12)13-2/h4H,3H2,1-2H3
InChIKeyUOHNFIFLPSTTES-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate (CID 63733520) is methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1ncnc(Cl)c1C.
What is the InChIKey of methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is UOHNFIFLPSTTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-5-7(9)10-4-11-8(5)14-3-6(12)13-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 232.69 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 63733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).