ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

C10H11N3O2S2 — CID 60699071

IUPACethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C10H11N3O2S2/c1-2-15-7(14)5-17-10-12-8(11)6-3-4-16-9(6)13-10/h3-4H,2,5H2,1H3,(H2,11,12,13)
InChIKeyNLEQXALHPLLHMF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (PubChem CID 60699071) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
PubChem CID60699071
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Nameethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C10H11N3O2S2/c1-2-15-7(14)5-17-10-12-8(11)6-3-4-16-9(6)13-10/h3-4H,2,5H2,1H3,(H2,11,12,13)
InChIKeyNLEQXALHPLLHMF-UHFFFAOYSA-N
XLogP1.93
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (CID 60699071) is ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The InChIKey is NLEQXALHPLLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-2-15-7(14)5-17-10-12-8(11)6-3-4-16-9(6)13-10/h3-4H,2,5H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate has a molecular weight of 269.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 60699071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).