ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate

C13H18N4O2S — CID 103325279

IUPACethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C13H18N4O2S/c1-4-8-6-9-11(15-7-10(18)19-5-2)16-13(14-3)17-12(9)20-8/h6H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyIUOMECYYGVYKKH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate

ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate (PubChem CID 103325279) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
PubChem CID103325279
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nameethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C13H18N4O2S/c1-4-8-6-9-11(15-7-10(18)19-5-2)16-13(14-3)17-12(9)20-8/h6H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyIUOMECYYGVYKKH-UHFFFAOYSA-N
XLogP2.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326140
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80789523
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate (CID 103325279) is ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate is CCOC(=O)CNc1nc(NC)nc2sc(CC)cc12.
What is the InChIKey of ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The InChIKey is IUOMECYYGVYKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-8-6-9-11(15-7-10(18)19-5-2)16-13(14-3)17-12(9)20-8/h6H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate has a molecular weight of 294.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 103325279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).