4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid

C14H10N2O3S — CID 63616892

IUPAC4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3ccc(C(=O)O)cc3)ncnc2s1
InChIInChI=1S/C14H10N2O3S/c1-8-6-11-12(15-7-16-13(11)20-8)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyTYMMCHZFOGOSNR-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.49
Rot. Bonds3

About 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid (PubChem CID 63616892) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
PubChem CID63616892
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3ccc(C(=O)O)cc3)ncnc2s1
InChIInChI=1S/C14H10N2O3S/c1-8-6-11-12(15-7-16-13(11)20-8)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyTYMMCHZFOGOSNR-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid (CID 63616892) is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid is Cc1cc2c(Oc3ccc(C(=O)O)cc3)ncnc2s1.
What is the InChIKey of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The InChIKey is TYMMCHZFOGOSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-6-11-12(15-7-16-13(11)20-8)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic 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 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 63616892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).