ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate

C16H18N2O4S2 — CID 1476315

IUPACethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1ncc(OC)c(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O4S2/c1-4-22-14(19)10-23-16-17-9-13(21-3)15(18-16)24-12-7-5-11(20-2)6-8-12/h5-9H,4,10H2,1-3H3
InChIKeyQTLGIJLXPFOPRI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.30
Rot. Bonds8

About ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate

ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate (PubChem CID 1476315) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate
PubChem CID1476315
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Nameethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1ncc(OC)c(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O4S2/c1-4-22-14(19)10-23-16-17-9-13(21-3)15(18-16)24-12-7-5-11(20-2)6-8-12/h5-9H,4,10H2,1-3H3
InChIKeyQTLGIJLXPFOPRI-UHFFFAOYSA-N
XLogP3.30
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate (CID 1476315) is ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate is CCOC(=O)CSc1ncc(OC)c(Sc2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate?
The InChIKey is QTLGIJLXPFOPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-4-22-14(19)10-23-16-17-9-13(21-3)15(18-16)24-12-7-5-11(20-2)6-8-12/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate?
ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate has a molecular weight of 366.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]sulfanylacetate is sourced from PubChem (CID 1476315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).