ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate

C9H10Cl2N2O2S — CID 86733085

IUPACethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H10Cl2N2O2S/c1-3-15-6(14)4-16-9-12-7(10)5(2)8(11)13-9/h3-4H2,1-2H3
InChIKeyHTTMRUWSJOYWJI-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate

ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate (PubChem CID 86733085) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate
PubChem CID86733085
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Nameethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H10Cl2N2O2S/c1-3-15-6(14)4-16-9-12-7(10)5(2)8(11)13-9/h3-4H2,1-2H3
InChIKeyHTTMRUWSJOYWJI-UHFFFAOYSA-N
XLogP2.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.75
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-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate (CID 86733085) is ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is HTTMRUWSJOYWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c1-3-15-6(14)4-16-9-12-7(10)5(2)8(11)13-9/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate?
ethyl 2-(4,6-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 281.16 g/mol, XLogP of 2.75, 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-dichloro-5-methylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 86733085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).