methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C20H20FN3O3S — CID 47023080

IUPACmethyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N3CCOC(c4ccc(F)cc4)C3)c2c1C
InChIInChI=1S/C20H20FN3O3S/c1-11-16-18(22-12(2)23-19(16)28-17(11)20(25)26-3)24-8-9-27-15(10-24)13-4-6-14(21)7-5-13/h4-7,15H,8-10H2,1-3H3
InChIKeyCLQLALPTKFYCFP-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.81
Rot. Bonds3

About methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 47023080) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID47023080
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Namemethyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N3CCOC(c4ccc(F)cc4)C3)c2c1C
InChIInChI=1S/C20H20FN3O3S/c1-11-16-18(22-12(2)23-19(16)28-17(11)20(25)26-3)24-8-9-27-15(10-24)13-4-6-14(21)7-5-13/h4-7,15H,8-10H2,1-3H3
InChIKeyCLQLALPTKFYCFP-UHFFFAOYSA-N
XLogP3.81
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate 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

methyl 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133315815
methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 133379598
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567884
1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058931
methyl 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133499670
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4277604
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 55563763
ethyl 4-[(3R)-3-hydroxypiperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 35885013
1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064581
ethyl 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4097687

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 47023080) is methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(N3CCOC(c4ccc(F)cc4)C3)c2c1C.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CLQLALPTKFYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-11-16-18(22-12(2)23-19(16)28-17(11)20(25)26-3)24-8-9-27-15(10-24)13-4-6-14(21)7-5-13/h4-7,15H,8-10H2,1-3H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 47023080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).