ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate

C13H15N3O3S — CID 50875632

IUPACethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-2-19-13(17)10-7-9-11(14-8-15-12(9)20-10)16-3-5-18-6-4-16/h7-8H,2-6H2,1H3
InChIKeyZNLLIJXNTOIQDG-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.70
Rot. Bonds3

About ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 50875632) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID50875632
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-2-19-13(17)10-7-9-11(14-8-15-12(9)20-10)16-3-5-18-6-4-16/h7-8H,2-6H2,1H3
InChIKeyZNLLIJXNTOIQDG-UHFFFAOYSA-N
XLogP1.70
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate 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 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate (CID 50875632) is ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(N3CCOCC3)ncnc2s1.
What is the InChIKey of ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZNLLIJXNTOIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-19-13(17)10-7-9-11(14-8-15-12(9)20-10)16-3-5-18-6-4-16/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 50875632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).