ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate

C24H23N5O3S — CID 67120141

IUPACethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)cc1
InChIInChI=1S/C24H23N5O3S/c1-2-32-23(30)17-5-3-16(4-6-17)19-15-33-20-14-26-24(28-22(19)20)27-18-7-8-21(25-13-18)29-9-11-31-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28)
InChIKeyPUGBVORMMBJXJC-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.51
Rot. Bonds6

About ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate

ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate (PubChem CID 67120141) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate
PubChem CID67120141
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Nameethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)cc1
InChIInChI=1S/C24H23N5O3S/c1-2-32-23(30)17-5-3-16(4-6-17)19-15-33-20-14-26-24(28-22(19)20)27-18-7-8-21(25-13-18)29-9-11-31-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28)
InChIKeyPUGBVORMMBJXJC-UHFFFAOYSA-N
XLogP4.51
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate with MolForge

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Related Compounds

Ethyl 3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoate
CID 164619714
3-[2-[4-(4-Ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoic acid
CID 164620390
N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 52931894
methyl 4-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]benzoate
CID 137538860
4-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]benzoic acid
CID 152596948
US11603372, Example 4
CID 138682674
Methyl 4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]benzoate
CID 46943790
Ethyl 2-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoate
CID 164628320
Methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907060
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 52918521
methyl 4-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]thiophene-2-carboxylate
CID 118869599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate?
The IUPAC name of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate (CID 67120141) is ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate?
The canonical SMILES for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate is CCOC(=O)c1ccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)cc1.
What is the InChIKey of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate?
The InChIKey is PUGBVORMMBJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-2-32-23(30)17-5-3-16(4-6-17)19-15-33-20-14-26-24(28-22(19)20)27-18-7-8-21(25-13-18)29-9-11-31-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28).
What are the key properties of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate?
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate has a molecular weight of 461.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzoate is sourced from PubChem (CID 67120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).