ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate

C23H21FN4O2S — CID 67382329

IUPACethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C23H21FN4O2S/c1-3-30-20(29)11-19-27-22(25-12-17-6-4-5-14(2)26-17)21-18(13-31-23(21)28-19)15-7-9-16(24)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,25,27,28)
InChIKeyXKDYMURHTXSHLX-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.92
Rot. Bonds7

About ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate

ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate (PubChem CID 67382329) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate
PubChem CID67382329
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Nameethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C23H21FN4O2S/c1-3-30-20(29)11-19-27-22(25-12-17-6-4-5-14(2)26-17)21-18(13-31-23(21)28-19)15-7-9-16(24)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,25,27,28)
InChIKeyXKDYMURHTXSHLX-UHFFFAOYSA-N
XLogP4.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate 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

ethyl 2-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]acetate
CID 67381907
2-[5-(4-fluorophenyl)-6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]ethanol
CID 67381977
diethyl 2-[5-(4-fluorophenyl)-6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]propanedioate
CID 68622433
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
2-[[5-(1,3-benzodioxol-5-yl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 67381861
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 87519051
ethyl 5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59298610
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133279193
2-[5-(4-fluorophenyl)-6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]propane-1,3-diol
CID 67382376
ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 87519217
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate (CID 67382329) is ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate is CCOC(=O)Cc1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)csc2n1.
What is the InChIKey of ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate?
The InChIKey is XKDYMURHTXSHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-3-30-20(29)11-19-27-22(25-12-17-6-4-5-14(2)26-17)21-18(13-31-23(21)28-19)15-7-9-16(24)10-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,25,27,28).
What are the key properties of ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate?
ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate has a molecular weight of 436.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate is sourced from PubChem (CID 67382329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).