4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide

C15H13N3O2S — CID 9108843

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESCc1sc2ncnc(Oc3ccc(C(N)=O)cc3)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-9(2)21-15-12(8)14(17-7-18-15)20-11-5-3-10(4-6-11)13(16)19/h3-7H,1-2H3,(H2,16,19)
InChIKeyUOHTUDGPDCLBOW-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.20
Rot. Bonds3

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

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 9108843) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
PubChem CID9108843
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESCc1sc2ncnc(Oc3ccc(C(N)=O)cc3)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-9(2)21-15-12(8)14(17-7-18-15)20-11-5-3-10(4-6-11)13(16)19/h3-7H,1-2H3,(H2,16,19)
InChIKeyUOHTUDGPDCLBOW-UHFFFAOYSA-N
XLogP3.20
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (CID 9108843) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is Cc1sc2ncnc(Oc3ccc(C(N)=O)cc3)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The InChIKey is UOHTUDGPDCLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-9(2)21-15-12(8)14(17-7-18-15)20-11-5-3-10(4-6-11)13(16)19/h3-7H,1-2H3,(H2,16,19).
What are the key properties of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 299.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 9108843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).