ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

C11H15N5O2S — CID 11087207

IUPACethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(N(C)C)nc(N)c2c1N
InChIInChI=1S/C11H15N5O2S/c1-4-18-10(17)7-6(12)5-8(13)14-11(16(2)3)15-9(5)19-7/h4,12H2,1-3H3,(H2,13,14,15)
InChIKeyVVQOWKRETLJIHN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.10
Rot. Bonds3

About ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 11087207) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID11087207
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Nameethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(N(C)C)nc(N)c2c1N
InChIInChI=1S/C11H15N5O2S/c1-4-18-10(17)7-6(12)5-8(13)14-11(16(2)3)15-9(5)19-7/h4,12H2,1-3H3,(H2,13,14,15)
InChIKeyVVQOWKRETLJIHN-UHFFFAOYSA-N
XLogP1.10
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4,5-diamino-2-(dimethylamino)thieno[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 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (CID 11087207) is ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(N(C)C)nc(N)c2c1N.
What is the InChIKey of ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VVQOWKRETLJIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-4-18-10(17)7-6(12)5-8(13)14-11(16(2)3)15-9(5)19-7/h4,12H2,1-3H3,(H2,13,14,15).
What are the key properties of ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diamino-2-(dimethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 11087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).