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

C13H16N4O3S — CID 2475845

IUPACN-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C13H16N4O3S/c1-8(2)5-14-13(19)17-10(18)6-20-11-9-3-4-21-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H2,14,17,18,19)
InChIKeyNSHQIBBAJXSWAN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.55
Rot. Bonds5

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

N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2475845) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2475845
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C13H16N4O3S/c1-8(2)5-14-13(19)17-10(18)6-20-11-9-3-4-21-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H2,14,17,18,19)
InChIKeyNSHQIBBAJXSWAN-UHFFFAOYSA-N
XLogP1.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4878715
N-[(2-methoxyphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705199
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-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
[2-(2-methylpropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735780
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204
N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614117
N-methyl-2-thieno[2,3-d]pyrimidin-4-yloxypropan-1-amine
CID 62349476
N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705200

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2475845) is N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)CNC(=O)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is NSHQIBBAJXSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8(2)5-14-13(19)17-10(18)6-20-11-9-3-4-21-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H2,14,17,18,19).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 308.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2475845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).