ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C16H15N3O3S — CID 733570

IUPACethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(Nc3cccc(O)c3)c2c1C
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)13-9(2)12-14(17-8-18-15(12)23-13)19-10-5-4-6-11(20)7-10/h4-8,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyYCJPHBOBKUONBV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.63
Rot. Bonds4

About ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 733570) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID733570
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(Nc3cccc(O)c3)c2c1C
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)13-9(2)12-14(17-8-18-15(12)23-13)19-10-5-4-6-11(20)7-10/h4-8,20H,3H2,1-2H3,(H,17,18,19)
InChIKeyYCJPHBOBKUONBV-UHFFFAOYSA-N
XLogP3.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-anilino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 16187904
3-(6-Methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 16370445
Methyl 4-(4-fluoro-2-isopropoxyphenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
CID 46182043
4-((4-Fluoro-2-isopropoxyphenyl)amino)-5-methylthieno(2,3-d)pyrimidine-6-carboxylic acid
CID 46182661
4-(2-(1,3-Difluoropropan-2-yloxy)-4-fluorophenylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58413241
4-(4-Fluoro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118242667
3-{[5-(4-Methylphenyl)thiopheno[3,2-e]pyrimidin-4-yl]amino}phenol
CID 733564
3-[(5-Phenylthiopheno[3,2-e]pyrimidin-4-yl)amino]phenol
CID 733565
3-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 733568
4-(4-Methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
CID 2378150
Ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3236884
4-[(4-Fluorophenyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855509

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 733570) is ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(Nc3cccc(O)c3)c2c1C.
What is the InChIKey of ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YCJPHBOBKUONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-16(21)13-9(2)12-14(17-8-18-15(12)23-13)19-10-5-4-6-11(20)7-10/h4-8,20H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 733570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).