ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

C12H15N3O2S2 — CID 704281

IUPACethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H15N3O2S2/c1-4-17-8(16)5-18-12-14-10(13)9-6(2)7(3)19-11(9)15-12/h4-5H2,1-3H3,(H2,13,14,15)
InChIKeyMTIJJOSOEBIMHV-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (PubChem CID 704281) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
PubChem CID704281
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Nameethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H15N3O2S2/c1-4-17-8(16)5-18-12-14-10(13)9-6(2)7(3)19-11(9)15-12/h4-5H2,1-3H3,(H2,13,14,15)
InChIKeyMTIJJOSOEBIMHV-UHFFFAOYSA-N
XLogP2.55
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (CID 704281) is ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The InChIKey is MTIJJOSOEBIMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-4-17-8(16)5-18-12-14-10(13)9-6(2)7(3)19-11(9)15-12/h4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate has a molecular weight of 297.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).