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

C9H12N2O3S — CID 704438

IUPACmethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(C)nc(SC)n1
InChIInChI=1S/C9H12N2O3S/c1-6-4-7(11-9(10-6)15-3)14-5-8(12)13-2/h4H,5H2,1-3H3
InChIKeyJFJRDVCLSIZCQL-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.06
Rot. Bonds4

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

methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate (PubChem CID 704438) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate
PubChem CID704438
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(C)nc(SC)n1
InChIInChI=1S/C9H12N2O3S/c1-6-4-7(11-9(10-6)15-3)14-5-8(12)13-2/h4H,5H2,1-3H3
InChIKeyJFJRDVCLSIZCQL-UHFFFAOYSA-N
XLogP1.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
2-[(4-Methoxy-6-methylpyrimidin-2-yl)thio]acetamide
CID 3239009
4-({[6-Methyl-2-(methylthio)pyrimidin-4-yl]oxy}acetyl)morpholine
CID 3243664
Ethanol, 2-[[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-
CID 1614350
2-((4-Methoxy-6-methyl-2-pyrimidinyl)thio)acetic acid
CID 598396
2,4-Diethoxy-6-methylpyrimidine
CID 260112
6-Methyl-2-methylthio-4-cyanomethoxypyrimidine
CID 658712
(6-methyl-2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 53666752
4-Ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 14280158
4-Methyl-2-(methylsulfanyl)-6-(prop-2-yn-1-yloxy)pyrimidine
CID 155977784
4-(4-Acetoxybutoxy)-2-(4-acetoxybutylthio)-6-trifluoro-methylpyrimidine
CID 138454601
4-Ethoxy-2-(ethylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 138756319

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The IUPAC name of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate (CID 704438) is methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate is COC(=O)COc1cc(C)nc(SC)n1.
What is the InChIKey of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
The InChIKey is JFJRDVCLSIZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-4-7(11-9(10-6)15-3)14-5-8(12)13-2/h4H,5H2,1-3H3.
What are the key properties of methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate?
methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate has a molecular weight of 228.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 704438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).