N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C17H26N4OS — CID 9113082

IUPACN-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4OS/c1-8-21(9-13(22)20-17(5,6)7)15-14-10(2)11(3)23-16(14)19-12(4)18-15/h8-9H2,1-7H3,(H,20,22)
InChIKeyUGZDQIRQIAWHPA-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.36
Rot. Bonds4

About N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9113082) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9113082
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4OS/c1-8-21(9-13(22)20-17(5,6)7)15-14-10(2)11(3)23-16(14)19-12(4)18-15/h8-9H2,1-7H3,(H,20,22)
InChIKeyUGZDQIRQIAWHPA-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 35474995
N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029229
N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195432
2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28847412
ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848730
4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23987564
N-ethyl-2-[ethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9337907
ethyl 4-[[2-(tert-butylamino)-2-oxoethyl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 17393383
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848532
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 8951715
N-tert-butyl-2-[[2-[C-[(1E)-2-(2-hydroxyethoxy)buta-1,3-dienyl]-N-methylcarbonimidoyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide;ethane
CID 157029275
4-(diethylamino)-N-(furan-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 15995991

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9113082) is N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CCN(CC(=O)NC(C)(C)C)c1nc(C)nc2sc(C)c(C)c12.
What is the InChIKey of N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is UGZDQIRQIAWHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-8-21(9-13(22)20-17(5,6)7)15-14-10(2)11(3)23-16(14)19-12(4)18-15/h8-9H2,1-7H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 334.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9113082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).