methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate

C21H23N3O3S — CID 133379598

IUPACmethyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N3CCOC(C)(c4ccccc4)C3)c2c1C
InChIInChI=1S/C21H23N3O3S/c1-13-16-18(22-14(2)23-19(16)28-17(13)20(25)26-4)24-10-11-27-21(3,12-24)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3
InChIKeyWHQXIEPDLJFOFK-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.85
Rot. Bonds3

About methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate

methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133379598) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133379598
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Namemethyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N3CCOC(C)(c4ccccc4)C3)c2c1C
InChIInChI=1S/C21H23N3O3S/c1-13-16-18(22-14(2)23-19(16)28-17(13)20(25)26-4)24-10-11-27-21(3,12-24)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3
InChIKeyWHQXIEPDLJFOFK-UHFFFAOYSA-N
XLogP3.85
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 2,5-dimethyl-4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133365066
methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47023080
1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058931
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133344469
methyl 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133499670
methyl 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133315815
methyl 4-(3-carbamoylpiperidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47005276
methyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26472142
methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26447787
ethyl 4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 31257758
ethyl 2,5-dimethyl-4-[4-(phenylcarbamoyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 27818310
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate (CID 133379598) is methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(N3CCOC(C)(c4ccccc4)C3)c2c1C.
What is the InChIKey of methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WHQXIEPDLJFOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-13-16-18(22-14(2)23-19(16)28-17(13)20(25)26-4)24-10-11-27-21(3,12-24)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3.
What are the key properties of methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133379598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).