2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

C12H15ClN4OS — CID 103321215

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-7(2)5-17(6-9(14)18)10-8-3-4-19-11(8)16-12(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)
InChIKeyAFYDUWABYLKLDG-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.29
Rot. Bonds5

About 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 103321215) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
PubChem CID103321215
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-7(2)5-17(6-9(14)18)10-8-3-4-19-11(8)16-12(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18)
InChIKeyAFYDUWABYLKLDG-UHFFFAOYSA-N
XLogP2.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103321124
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182664
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750804
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
CID 103322493
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548
2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
CID 62187940
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-[(2-hydrazinylquinazolin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901636

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (CID 103321215) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1nc(Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is AFYDUWABYLKLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-7(2)5-17(6-9(14)18)10-8-3-4-19-11(8)16-12(13)15-10/h3-4,7H,5-6H2,1-2H3,(H2,14,18).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 298.80 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 103321215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).