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

C11H15ClN2O2S — CID 80978604

IUPACmethyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)OC)n1
InChIInChI=1S/C11H15ClN2O2S/c1-4-5-8-13-10(12)7(2)11(14-8)17-6-9(15)16-3/h4-6H2,1-3H3
InChIKeyVGAOALDWOJIWOO-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.66
Rot. Bonds5

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

methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80978604) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate
PubChem CID80978604
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Namemethyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)OC)n1
InChIInChI=1S/C11H15ClN2O2S/c1-4-5-8-13-10(12)7(2)11(14-8)17-6-9(15)16-3/h4-6H2,1-3H3
InChIKeyVGAOALDWOJIWOO-UHFFFAOYSA-N
XLogP2.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.66
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-methyl-2-propylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate (CID 80978604) is methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate is CCCc1nc(Cl)c(C)c(SCC(=O)OC)n1.
What is the InChIKey of methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is VGAOALDWOJIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-4-5-8-13-10(12)7(2)11(14-8)17-6-9(15)16-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 274.77 g/mol, XLogP of 2.66, 5 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-methyl-2-propylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80978604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).