2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide

C13H19N5OS — CID 103326256

IUPAC2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H19N5OS/c1-4-8-6-9-11(16-13(14)17-12(9)20-8)18(3)7-10(19)15-5-2/h6H,4-5,7H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyLFFPOYKXUCPQBO-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide (PubChem CID 103326256) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
PubChem CID103326256
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H19N5OS/c1-4-8-6-9-11(16-13(14)17-12(9)20-8)18(3)7-10(19)15-5-2/h6H,4-5,7H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyLFFPOYKXUCPQBO-UHFFFAOYSA-N
XLogP1.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 103332914
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
4-N-(1,1-dioxothiolan-3-yl)-6-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide (CID 103326256) is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The InChIKey is LFFPOYKXUCPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-8-6-9-11(16-13(14)17-12(9)20-8)18(3)7-10(19)15-5-2/h6H,4-5,7H2,1-3H3,(H,15,19)(H2,14,16,17).
What are the key properties of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide?
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide has a molecular weight of 293.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 103326256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).