methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate

C10H13ClN2O2S — CID 80978520

IUPACmethyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCc1nc(Cl)c(C)c(SCC(=O)OC)n1
InChIInChI=1S/C10H13ClN2O2S/c1-4-7-12-9(11)6(2)10(13-7)16-5-8(14)15-3/h4-5H2,1-3H3
InChIKeyIPTMMBKTSIVECM-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate

methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80978520) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
PubChem CID80978520
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Namemethyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCc1nc(Cl)c(C)c(SCC(=O)OC)n1
InChIInChI=1S/C10H13ClN2O2S/c1-4-7-12-9(11)6(2)10(13-7)16-5-8(14)15-3/h4-5H2,1-3H3
InChIKeyIPTMMBKTSIVECM-UHFFFAOYSA-N
XLogP2.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate (CID 80978520) is methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate is CCc1nc(Cl)c(C)c(SCC(=O)OC)n1.
What is the InChIKey of methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is IPTMMBKTSIVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-4-7-12-9(11)6(2)10(13-7)16-5-8(14)15-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 260.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80978520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).