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

C14H10N2O3S — CID 61396250

IUPAC5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
SMILESCc1ccc(Oc2ncnc3ccsc23)c(C(=O)O)c1
InChIInChI=1S/C14H10N2O3S/c1-8-2-3-11(9(6-8)14(17)18)19-13-12-10(4-5-20-12)15-7-16-13/h2-7H,1H3,(H,17,18)
InChIKeyYARIZFLBSJYWIQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.49
Rot. Bonds3

About 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid

5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid (PubChem CID 61396250) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
PubChem CID61396250
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
SMILESCc1ccc(Oc2ncnc3ccsc23)c(C(=O)O)c1
InChIInChI=1S/C14H10N2O3S/c1-8-2-3-11(9(6-8)14(17)18)19-13-12-10(4-5-20-12)15-7-16-13/h2-7H,1H3,(H,17,18)
InChIKeyYARIZFLBSJYWIQ-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

4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
CID 83132793
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
CID 24561411
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
CID 65274789
2-aminooxy-5-methylbenzoic acid
CID 154678313
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid (CID 61396250) is 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid is Cc1ccc(Oc2ncnc3ccsc23)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid?
The InChIKey is YARIZFLBSJYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-2-3-11(9(6-8)14(17)18)19-13-12-10(4-5-20-12)15-7-16-13/h2-7H,1H3,(H,17,18).
What are the key properties of 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid?
5-methyl-2-thieno[3,2-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 5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 61396250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).