ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

C16H22N4O2S — CID 17406886

IUPACethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCCN3CCCC3)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-3-22-16(21)13-11(2)12-14(18-10-19-15(12)23-13)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAAJZGJBIARLYEY-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.68
Rot. Bonds6

About ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 17406886) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID17406886
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Nameethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCCN3CCCC3)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-3-22-16(21)13-11(2)12-14(18-10-19-15(12)23-13)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAAJZGJBIARLYEY-UHFFFAOYSA-N
XLogP2.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)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 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate (CID 17406886) is ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NCCN3CCCC3)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is AAJZGJBIARLYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-22-16(21)13-11(2)12-14(18-10-19-15(12)23-13)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 334.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-(2-pyrrolidin-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 17406886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).