ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

C18H23N5O2S — CID 47075081

IUPACethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCC(C)Cn3ccnc3C)c2c1C
InChIInChI=1S/C18H23N5O2S/c1-5-25-18(24)15-12(3)14-16(21-10-22-17(14)26-15)20-8-11(2)9-23-7-6-19-13(23)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,22)
InChIKeyZJVVHPWEWLXSAU-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.43
Rot. Bonds7

About ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 47075081) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID47075081
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Nameethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCC(C)Cn3ccnc3C)c2c1C
InChIInChI=1S/C18H23N5O2S/c1-5-25-18(24)15-12(3)14-16(21-10-22-17(14)26-15)20-8-11(2)9-23-7-6-19-13(23)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,22)
InChIKeyZJVVHPWEWLXSAU-UHFFFAOYSA-N
XLogP3.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
[(1S)-2-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2536608
4-[(3-hydroxy-2-methylpropyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 65035176
ethyl 5-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 51086961
ethyl 4-[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26471225
ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 32805788
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791805
ethyl 4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133399818
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-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 47075081) is ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NCC(C)Cn3ccnc3C)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZJVVHPWEWLXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-5-25-18(24)15-12(3)14-16(21-10-22-17(14)26-15)20-8-11(2)9-23-7-6-19-13(23)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 47075081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).