ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate

C18H18N2O3S — CID 9251221

IUPACethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccccc1Oc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C18H18N2O3S/c1-5-22-18(21)13-8-6-7-9-14(13)23-16-15-10(2)11(3)24-17(15)20-12(4)19-16/h6-9H,5H2,1-4H3
InChIKeyAQTBNFYMMSDWET-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.59
Rot. Bonds4

About ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate

ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate (PubChem CID 9251221) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
PubChem CID9251221
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Nameethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccccc1Oc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C18H18N2O3S/c1-5-22-18(21)13-8-6-7-9-14(13)23-16-15-10(2)11(3)24-17(15)20-12(4)19-16/h6-9H,5H2,1-4H3
InChIKeyAQTBNFYMMSDWET-UHFFFAOYSA-N
XLogP4.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9311095
2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
CID 9213194
ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
CID 133487382
N-(2-ethoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1440700
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109097
ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979552
5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251145
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate
CID 13121567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The IUPAC name of ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate (CID 9251221) is ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate is CCOC(=O)c1ccccc1Oc1nc(C)nc2sc(C)c(C)c12.
What is the InChIKey of ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
The InChIKey is AQTBNFYMMSDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-5-22-18(21)13-8-6-7-9-14(13)23-16-15-10(2)11(3)24-17(15)20-12(4)19-16/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate?
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate has a molecular weight of 342.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 9251221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).