ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C18H19N3O3S — CID 2378150

IUPACethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3)c2c1C
InChIInChI=1S/C18H19N3O3S/c1-5-24-18(22)15-10(2)14-16(19-11(3)20-17(14)25-15)21-12-6-8-13(23-4)9-7-12/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRBJVFMACBZBSHN-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.24
Rot. Bonds5

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

ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2378150) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID2378150
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Nameethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3)c2c1C
InChIInChI=1S/C18H19N3O3S/c1-5-24-18(22)15-10(2)14-16(19-11(3)20-17(14)25-15)21-12-6-8-13(23-4)9-7-12/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyRBJVFMACBZBSHN-UHFFFAOYSA-N
XLogP4.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-anilino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 16187904
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 757230
Ethyl 2-(2-methoxy-2-oxoethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 6615568
3-(Ethylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117432
11-(4-Methoxyphenyl)-3-(methylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117433
3-(Dimethylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118815
3-(Cyclopropylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118816
N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
CID 16667011
N-ethyl-4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42634390
N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 44583644
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 2378150) is ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3)c2c1C.
What is the InChIKey of ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RBJVFMACBZBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-5-24-18(22)15-10(2)14-16(19-11(3)20-17(14)25-15)21-12-6-8-13(23-4)9-7-12/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 357.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2378150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).