ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate

C13H15N3O4S2 — CID 14177215

IUPACethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)CSc1ncc2c(N)c(C(=O)OCC)sc2n1
InChIInChI=1S/C13H15N3O4S2/c1-3-19-8(17)6-21-13-15-5-7-9(14)10(12(18)20-4-2)22-11(7)16-13/h5H,3-4,6,14H2,1-2H3
InChIKeyWNDZVQMKBXHIII-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.11
Rot. Bonds6

About ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 14177215) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID14177215
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Nameethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)CSc1ncc2c(N)c(C(=O)OCC)sc2n1
InChIInChI=1S/C13H15N3O4S2/c1-3-19-8(17)6-21-13-15-5-7-9(14)10(12(18)20-4-2)22-11(7)16-13/h5H,3-4,6,14H2,1-2H3
InChIKeyWNDZVQMKBXHIII-UHFFFAOYSA-N
XLogP2.11
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[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-amino-2-(2-methoxy-2-oxoethyl)-5-methylthieno(2,3-d)pyrimidine-6-carboxylate
CID 16227349
Ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 16227943
Ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 117275708
2-[(6-Ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 2239215
(2S)-2-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid
CID 28840353
9-Amino-2,7-bis-dimethylamino-pyrimido[5',4':4,5]thieno[3,2-d][1,3]oxazin-4-one
CID 11077633
4,5-Diamino-2-dimethylamino-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
CID 11087207
Ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 402994
ethyl 5-butyl-7-(methylsulfanyl)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate
CID 1781875
Ethyl 5-(ethoxymethylideneamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2825660
Bwgawftznhbacr-frkpeaedsa-
CID 15471555
4,5-Diaminothieno[2,3-d]pyrimidine-6-carboxylic
CID 70868973

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (CID 14177215) is ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)CSc1ncc2c(N)c(C(=O)OCC)sc2n1.
What is the InChIKey of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WNDZVQMKBXHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-3-19-8(17)6-21-13-15-5-7-9(14)10(12(18)20-4-2)22-11(7)16-13/h5H,3-4,6,14H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 14177215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).