3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione

C15H13N5O2S — CID 71910015

IUPAC3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(-c1cnc3ccsc3c1)n2C
InChIInChI=1S/C15H13N5O2S/c1-3-20-13-11(14(21)18-15(20)22)19(2)12(17-13)8-6-10-9(16-7-8)4-5-23-10/h4-7H,3H2,1-2H3,(H,18,21,22)
InChIKeyNNCYJBJAAYIMJW-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.72
Rot. Bonds2

About 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione

3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione (PubChem CID 71910015) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione
PubChem CID71910015
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(-c1cnc3ccsc3c1)n2C
InChIInChI=1S/C15H13N5O2S/c1-3-20-13-11(14(21)18-15(20)22)19(2)12(17-13)8-6-10-9(16-7-8)4-5-23-10/h4-7H,3H2,1-2H3,(H,18,21,22)
InChIKeyNNCYJBJAAYIMJW-UHFFFAOYSA-N
XLogP1.72
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione 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 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione?
The IUPAC name of 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione (CID 71910015) is 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione.
What is the SMILES notation for 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione?
The canonical SMILES for 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1nc(-c1cnc3ccsc3c1)n2C.
What is the InChIKey of 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione?
The InChIKey is NNCYJBJAAYIMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-3-20-13-11(14(21)18-15(20)22)19(2)12(17-13)8-6-10-9(16-7-8)4-5-23-10/h4-7H,3H2,1-2H3,(H,18,21,22).
What are the key properties of 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione?
3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione has a molecular weight of 327.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-8-thieno[3,2-b]pyridin-6-ylpurine-2,6-dione is sourced from PubChem (CID 71910015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).