2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C17H17N3O3S — CID 21012399

IUPAC2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOCCOC(=O)c1sc2ncnc(Nc3ccccc3)c2c1C
InChIInChI=1S/C17H17N3O3S/c1-11-13-15(20-12-6-4-3-5-7-12)18-10-19-16(13)24-14(11)17(21)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,19,20)
InChIKeyKTXQTAMAYDQZTD-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.55
Rot. Bonds6

About 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 21012399) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID21012399
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOCCOC(=O)c1sc2ncnc(Nc3ccccc3)c2c1C
InChIInChI=1S/C17H17N3O3S/c1-11-13-15(20-12-6-4-3-5-7-12)18-10-19-16(13)24-14(11)17(21)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,19,20)
InChIKeyKTXQTAMAYDQZTD-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 4-anilino-5-methylthieno[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

4-[[6-(2-methoxyethoxycarbonyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012322
2-methoxyethyl 4-(3,4-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012054
2-phenylethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21009762
benzyl 4-(4-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21009742
5-[[5-methyl-6-(2-phenylethoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid
CID 21009465
2-phenylethyl 4-(3,4-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21009727
2-methoxyethyl 4-(1,3-benzodioxol-5-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21010040
2-methoxyethyl 4-(2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011411
ethyl 4-(4-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1193202
ethyl 5-methyl-4-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 757182
ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791805
2-phenylethyl 4-(2,3-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21009607

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 21012399) is 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is COCCOC(=O)c1sc2ncnc(Nc3ccccc3)c2c1C.
What is the InChIKey of 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is KTXQTAMAYDQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-13-15(20-12-6-4-3-5-7-12)18-10-19-16(13)24-14(11)17(21)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 21012399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).