5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid

C14H11N3O3S — CID 63850530

IUPAC5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1sc2ncnc(Oc3cncc(C(=O)O)c3)c2c1C
InChIInChI=1S/C14H11N3O3S/c1-7-8(2)21-13-11(7)12(16-6-17-13)20-10-3-9(14(18)19)4-15-5-10/h3-6H,1-2H3,(H,18,19)
InChIKeyGWIYUVSTPSFYAR-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.19
Rot. Bonds3

About 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid

5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 63850530) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
PubChem CID63850530
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1sc2ncnc(Oc3cncc(C(=O)O)c3)c2c1C
InChIInChI=1S/C14H11N3O3S/c1-7-8(2)21-13-11(7)12(16-6-17-13)20-10-3-9(14(18)19)4-15-5-10/h3-6H,1-2H3,(H,18,19)
InChIKeyGWIYUVSTPSFYAR-UHFFFAOYSA-N
XLogP3.19
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)oxybenzamide
CID 9108843
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
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
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
CID 65208563
2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetonitrile
CID 9108653
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
methyl 4-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 1186201
4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 123620501

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid (CID 63850530) is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid is Cc1sc2ncnc(Oc3cncc(C(=O)O)c3)c2c1C.
What is the InChIKey of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is GWIYUVSTPSFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-7-8(2)21-13-11(7)12(16-6-17-13)20-10-3-9(14(18)19)4-15-5-10/h3-6H,1-2H3,(H,18,19).
What are the key properties of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid?
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).