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

C13H17N3O2S — CID 2484145

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
SMILESCc1sc2ncnc(OCC(=O)NC(C)C)c2c1C
InChIInChI=1S/C13H17N3O2S/c1-7(2)16-10(17)5-18-12-11-8(3)9(4)19-13(11)15-6-14-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyFSHQEIUVAMAEJK-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.21
Rot. Bonds4

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide (PubChem CID 2484145) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
PubChem CID2484145
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
SMILESCc1sc2ncnc(OCC(=O)NC(C)C)c2c1C
InChIInChI=1S/C13H17N3O2S/c1-7(2)16-10(17)5-18-12-11-8(3)9(4)19-13(11)15-6-14-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyFSHQEIUVAMAEJK-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2117377
N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2128204
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4875937
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2161555
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2553837
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 2997987
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3928251
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3995796
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide
CID 2512072
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide
CID 2085647
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2388600

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide (CID 2484145) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide is Cc1sc2ncnc(OCC(=O)NC(C)C)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide?
The InChIKey is FSHQEIUVAMAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7(2)16-10(17)5-18-12-11-8(3)9(4)19-13(11)15-6-14-12/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide has a molecular weight of 279.37 g/mol, XLogP of 2.21, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 2484145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).