ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate

C11H16N2O3S — CID 4283909

IUPACethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C)cc(OCC)n1
InChIInChI=1S/C11H16N2O3S/c1-4-15-9-6-8(3)12-11(13-9)17-7-10(14)16-5-2/h6H,4-5,7H2,1-3H3
InChIKeyVPUFCBFVMMWQTJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.84
Rot. Bonds6

About ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate

ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate (PubChem CID 4283909) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
PubChem CID4283909
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C)cc(OCC)n1
InChIInChI=1S/C11H16N2O3S/c1-4-15-9-6-8(3)12-11(13-9)17-7-10(14)16-5-2/h6H,4-5,7H2,1-3H3
InChIKeyVPUFCBFVMMWQTJ-UHFFFAOYSA-N
XLogP1.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
ethyl 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetate
CID 126389744
1-[6-methyl-2-(2-oxopropylsulfanyl)pyrimidin-4-yl]oxypropan-2-one
CID 12753455
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 2-[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]sulfanylacetate
CID 58904976
ethyl 4-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]butanoate
CID 78909876
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 55304079
ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
CID 23760788
ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate
CID 2772551
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl chloride
CID 151547713

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate (CID 4283909) is ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(C)cc(OCC)n1.
What is the InChIKey of ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is VPUFCBFVMMWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-15-9-6-8(3)12-11(13-9)17-7-10(14)16-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate?
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 256.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 4283909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).