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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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).