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

C12H16N4OS — CID 49226606

IUPACN-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCC(C)CNC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C12H16N4OS/c1-8(2)5-13-10(17)6-14-11-9-3-4-18-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUBDGWARVSCFEOC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds5

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

N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (PubChem CID 49226606) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
PubChem CID49226606
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCC(C)CNC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C12H16N4OS/c1-8(2)5-13-10(17)6-14-11-9-3-4-18-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUBDGWARVSCFEOC-UHFFFAOYSA-N
XLogP1.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405779
N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 17393142
1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
CID 56684752
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115714881
[2-(2-methylpropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735780
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (CID 49226606) is N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is CC(C)CNC(=O)CNc1ncnc2sccc12.
What is the InChIKey of N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is UBDGWARVSCFEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)5-13-10(17)6-14-11-9-3-4-18-12(9)16-7-15-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 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-ylamino)acetamide is sourced from PubChem (CID 49226606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).