2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid

C14H10N2O3S — CID 107672534

IUPAC2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
SMILESCc1cc(Oc2ncnc3sccc23)ccc1C(=O)O
InChIInChI=1S/C14H10N2O3S/c1-8-6-9(2-3-10(8)14(17)18)19-12-11-4-5-20-13(11)16-7-15-12/h2-7H,1H3,(H,17,18)
InChIKeyIJSJNHFWIPDFNO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid

2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid (PubChem CID 107672534) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
PubChem CID107672534
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
SMILESCc1cc(Oc2ncnc3sccc23)ccc1C(=O)O
InChIInChI=1S/C14H10N2O3S/c1-8-6-9(2-3-10(8)14(17)18)19-12-11-4-5-20-13(11)16-7-15-12/h2-7H,1H3,(H,17,18)
InChIKeyIJSJNHFWIPDFNO-UHFFFAOYSA-N
XLogP3.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetamide
CID 8933027
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
CID 9110957
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 63181014
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 9112729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid (CID 107672534) is 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid is Cc1cc(Oc2ncnc3sccc23)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The InChIKey is IJSJNHFWIPDFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-6-9(2-3-10(8)14(17)18)19-12-11-4-5-20-13(11)16-7-15-12/h2-7H,1H3,(H,17,18).
What are the key properties of 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid has a molecular weight of 286.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 107672534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).