methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate

C17H16N2O4S — CID 9250705

IUPACmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1Oc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C17H16N2O4S/c1-9-10(2)24-16-14(9)15(18-8-19-16)23-13-7-11(21-3)5-6-12(13)17(20)22-4/h5-8H,1-4H3
InChIKeyTUNYILPPINICQO-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate

methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate (PubChem CID 9250705) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
PubChem CID9250705
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1Oc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C17H16N2O4S/c1-9-10(2)24-16-14(9)15(18-8-19-16)23-13-7-11(21-3)5-6-12(13)17(20)22-4/h5-8H,1-4H3
InChIKeyTUNYILPPINICQO-UHFFFAOYSA-N
XLogP3.90
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
methyl 4-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 1186201
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2238945
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetonitrile
CID 9108653
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885678

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate?
The IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate (CID 9250705) is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate.
What is the SMILES notation for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate?
The canonical SMILES for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1Oc1ncnc2sc(C)c(C)c12.
What is the InChIKey of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate?
The InChIKey is TUNYILPPINICQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-9-10(2)24-16-14(9)15(18-8-19-16)23-13-7-11(21-3)5-6-12(13)17(20)22-4/h5-8H,1-4H3.
What are the key properties of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate?
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate has a molecular weight of 344.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate is sourced from PubChem (CID 9250705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).