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

C15H21N3O2S — CID 4876202

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NC(C)C(C)C)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-8(2)10(4)18-12(19)6-20-14-13-9(3)11(5)21-15(13)17-7-16-14/h7-8,10H,6H2,1-5H3,(H,18,19)
InChIKeyKZUWUYSBXLOFMX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.85
Rot. Bonds5

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4876202) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide
PubChem CID4876202
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NC(C)C(C)C)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-8(2)10(4)18-12(19)6-20-14-13-9(3)11(5)21-15(13)17-7-16-14/h7-8,10H,6H2,1-5H3,(H,18,19)
InChIKeyKZUWUYSBXLOFMX-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.85
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-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide (CID 4876202) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide is Cc1sc2ncnc(OCC(=O)NC(C)C(C)C)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KZUWUYSBXLOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8(2)10(4)18-12(19)6-20-14-13-9(3)11(5)21-15(13)17-7-16-14/h7-8,10H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.85, 5 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).