methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate

C15H12N2O3S — CID 2469744

IUPACmethyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3sccc23)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-15(18)11-4-2-10(3-5-11)8-20-13-12-6-7-21-14(12)17-9-16-13/h2-7,9H,8H2,1H3
InChIKeyISJKGLTUURFOAJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.06
Rot. Bonds4

About methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate

methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate (PubChem CID 2469744) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
PubChem CID2469744
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Namemethyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3sccc23)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-15(18)11-4-2-10(3-5-11)8-20-13-12-6-7-21-14(12)17-9-16-13/h2-7,9H,8H2,1H3
InChIKeyISJKGLTUURFOAJ-UHFFFAOYSA-N
XLogP3.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
1-[2-(2-Thieno[2,3-d]pyrimidin-4-yloxyethoxy)phenyl]ethanone
CID 2461173
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
4-(4-Methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2457327
4-Methoxy-6-phenylthieno[2,3-d]pyrimidine
CID 1039883
4-(2-Phenoxyethoxy)thieno[2,3-d]pyrimidine
CID 2117015
1-(4-Thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
CID 2478817
2-[6-(2-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162672607
4-[(3-Methoxyphenyl)methoxy]thieno[2,3-d]pyrimidine
CID 2116133
N,N-dimethyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 4880949
4-(2-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710974
1-(3-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy)phenyl)ethan-1-one
CID 722913

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate?
The IUPAC name of methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate (CID 2469744) is methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate.
What is the SMILES notation for methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate?
The canonical SMILES for methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate is COC(=O)c1ccc(COc2ncnc3sccc23)cc1.
What is the InChIKey of methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate?
The InChIKey is ISJKGLTUURFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-15(18)11-4-2-10(3-5-11)8-20-13-12-6-7-21-14(12)17-9-16-13/h2-7,9H,8H2,1H3.
What are the key properties of methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate?
methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate has a molecular weight of 300.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate is sourced from PubChem (CID 2469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).