2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide

C11H13N3O2S — CID 2085647

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)16-4-8(15)12-3/h5H,4H2,1-3H3,(H,12,15)
InChIKeyMNIKITZSEMBLLP-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.43
Rot. Bonds3

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide (PubChem CID 2085647) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide
PubChem CID2085647
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)16-4-8(15)12-3/h5H,4H2,1-3H3,(H,12,15)
InChIKeyMNIKITZSEMBLLP-UHFFFAOYSA-N
XLogP1.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide (CID 2085647) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide is CNC(=O)COc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide?
The InChIKey is MNIKITZSEMBLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-7(2)17-11-9(6)10(13-5-14-11)16-4-8(15)12-3/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide has a molecular weight of 251.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide is sourced from PubChem (CID 2085647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).