ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

C19H28N4O2S — CID 24623774

IUPACethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2c1C
InChIInChI=1S/C19H28N4O2S/c1-7-25-17(24)14-11(2)13-15(20-10-21-16(13)26-14)22-12-8-18(3,4)23-19(5,6)9-12/h10,12,23H,7-9H2,1-6H3,(H,20,21,22)
InChIKeyILNNPDFVWZVRFV-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.90
Rot. Bonds4

About ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24623774) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24623774
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Nameethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2c1C
InChIInChI=1S/C19H28N4O2S/c1-7-25-17(24)14-11(2)13-15(20-10-21-16(13)26-14)22-12-8-18(3,4)23-19(5,6)9-12/h10,12,23H,7-9H2,1-6H3,(H,20,21,22)
InChIKeyILNNPDFVWZVRFV-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]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

Related Compounds

ethyl 4-[(2,6-dimethyloxan-4-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 75438022
ethyl 5-methyl-4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 95568515
ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133386677
ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133399818
ethyl 4-(4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791806
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
ethyl 4-(2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011468
ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791805
4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 114546980
ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
ethyl 4-(4-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1193202

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 24623774) is ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ILNNPDFVWZVRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-7-25-17(24)14-11(2)13-15(20-10-21-16(13)26-14)22-12-8-18(3,4)23-19(5,6)9-12/h10,12,23H,7-9H2,1-6H3,(H,20,21,22).
What are the key properties of ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 376.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).