ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride

C10H15ClN2O2S — CID 45125947

IUPACethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
SMILESCCOC(=O)CSc1nc(C)cc(C)n1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-4-14-9(13)6-15-10-11-7(2)5-8(3)12-10;/h5H,4,6H2,1-3H3;1H
InChIKeyIHKBKGJRVRURBR-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.17
Rot. Bonds4

About ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride

ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride (PubChem CID 45125947) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
PubChem CID45125947
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
SMILESCCOC(=O)CSc1nc(C)cc(C)n1.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-4-14-9(13)6-15-10-11-7(2)5-8(3)12-10;/h5H,4,6H2,1-3H3;1H
InChIKeyIHKBKGJRVRURBR-UHFFFAOYSA-N
XLogP2.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
ethyl 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetate
CID 126389744
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
CID 23760788
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl chloride
CID 151547713
N-(1-aminopropan-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119584496
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 6-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46573922
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 18228212
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 8902818
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride?
The IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride (CID 45125947) is ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride?
The canonical SMILES for ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride is CCOC(=O)CSc1nc(C)cc(C)n1.Cl.
What is the InChIKey of ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride?
The InChIKey is IHKBKGJRVRURBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-4-14-9(13)6-15-10-11-7(2)5-8(3)12-10;/h5H,4,6H2,1-3H3;1H.
What are the key properties of ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride?
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride is sourced from PubChem (CID 45125947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).