N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C16H15N3O2S — CID 2705201

IUPACN-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C16H15N3O2S/c1-10-4-3-5-11(2)14(10)19-13(20)8-21-15-12-6-7-22-16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyIEEFERQKIIYNDQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.33
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2705201) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2705201
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C16H15N3O2S/c1-10-4-3-5-11(2)14(10)19-13(20)8-21-15-12-6-7-22-16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyIEEFERQKIIYNDQ-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705200
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
N-[(2-methoxyphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705199
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4878715
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 5217799

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2705201) is N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is Cc1cccc(C)c1NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is IEEFERQKIIYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-4-3-5-11(2)14(10)19-13(20)8-21-15-12-6-7-22-16(12)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 313.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2705201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).