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

C12H15N3O2S — CID 4567680

IUPACN-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CNC(=O)COc1ncnc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-8(2)5-13-10(16)6-17-11-9-3-4-18-12(9)15-7-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyHRWFYCMJRHYECV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.84
Rot. Bonds5

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

N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 4567680) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID4567680
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CNC(=O)COc1ncnc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-8(2)5-13-10(16)6-17-11-9-3-4-18-12(9)15-7-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyHRWFYCMJRHYECV-UHFFFAOYSA-N
XLogP1.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 4567680) is N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)CNC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is HRWFYCMJRHYECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)5-13-10(16)6-17-11-9-3-4-18-12(9)15-7-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 265.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 4567680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).