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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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).