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

C13H17N3O2S — CID 2536928

IUPACN-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)[C@@H](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)/t9-/m1/s1
InChIKeyHEDXTCLWZGQPLH-SECBINFHSA-N
MW279.36 g/mol
LogP2.23
Rot. Bonds5

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

N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2536928) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2536928
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)[C@@H](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)/t9-/m1/s1
InChIKeyHEDXTCLWZGQPLH-SECBINFHSA-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-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4878715
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
N-[(2-methoxyphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705199
N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614117
N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705200

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2536928) is N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)[C@@H](C)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is HEDXTCLWZGQPLH-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-[(2R)-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-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2536928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).