N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C13H17N3O2S — CID 4875937

IUPACN-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)C(C)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C13H17N3O2S/c1-8(2)9(3)16-11(17)6-18-12-10-4-5-19-13(10)15-7-14-12/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyHEDXTCLWZGQPLH-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.23
Rot. Bonds5

About N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 4875937) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID4875937
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)C(C)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C13H17N3O2S/c1-8(2)9(3)16-11(17)6-18-12-10-4-5-19-13(10)15-7-14-12/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyHEDXTCLWZGQPLH-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
CID 2484145
N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614027
N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2161132
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4567680
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2388600
N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2496595
N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614043
N-(1,1-dioxothiolan-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4570561

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 4875937) is N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)C(C)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is HEDXTCLWZGQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(2)9(3)16-11(17)6-18-12-10-4-5-19-13(10)15-7-14-12/h4-5,7-9H,6H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 279.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 4875937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).