methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate

C9H11ClN2O2S — CID 19071337

IUPACmethyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1SC
InChIInChI=1S/C9H11ClN2O2S/c1-5-11-8(10)6(4-7(13)14-2)9(12-5)15-3/h4H2,1-3H3
InChIKeyMFPSZNNTVOZIMK-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate

methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate (PubChem CID 19071337) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate
PubChem CID19071337
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Namemethyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1SC
InChIInChI=1S/C9H11ClN2O2S/c1-5-11-8(10)6(4-7(13)14-2)9(12-5)15-3/h4H2,1-3H3
InChIKeyMFPSZNNTVOZIMK-UHFFFAOYSA-N
XLogP1.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate;methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
CID 19071352
Methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
CID 19071353
Ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
CID 52987903
CID 157182530
CID 157182530
Methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanylpropanoate
CID 63733316
Methyl 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanylacetate
CID 63733521
Methyl 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropanoate
CID 80978197
Methyl 3-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylpropanoate
CID 80978198
Methyl 3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropanoate
CID 80978348
Methyl 3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanoate
CID 80978430
Methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
CID 80978520
Methyl 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylacetate
CID 80978604

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate (CID 19071337) is methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate is COC(=O)Cc1c(Cl)nc(C)nc1SC.
What is the InChIKey of methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate?
The InChIKey is MFPSZNNTVOZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-5-11-8(10)6(4-7(13)14-2)9(12-5)15-3/h4H2,1-3H3.
What are the key properties of methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate?
methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate has a molecular weight of 246.72 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-methyl-6-methylsulfanylpyrimidin-5-yl)acetate is sourced from PubChem (CID 19071337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).