3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

C15H19N3O3S — CID 95586221

IUPAC3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(C)(C)O1
InChIInChI=1S/C15H19N3O3S/c1-10-6-17(8-15(2,3)21-10)12(19)7-18-9-16-13-11(14(18)20)4-5-22-13/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyILYFMCBXAVCZOC-SNVBAGLBSA-N
MW321.40 g/mol
LogP1.48
Rot. Bonds2

About 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 95586221) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID95586221
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(C)(C)O1
InChIInChI=1S/C15H19N3O3S/c1-10-6-17(8-15(2,3)21-10)12(19)7-18-9-16-13-11(14(18)20)4-5-22-13/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyILYFMCBXAVCZOC-SNVBAGLBSA-N
XLogP1.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
CID 136569526
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 94053975
3-methyl-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119256435
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 138023552
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one
CID 138052291
1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136795
3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 95582439
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 30090006
(3S,4S)-4-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120952626
3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 27687434
(2S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136713

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one (CID 95586221) is 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(C)(C)O1.
What is the InChIKey of 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ILYFMCBXAVCZOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-6-17(8-15(2,3)21-10)12(19)7-18-9-16-13-11(14(18)20)4-5-22-13/h4-5,9-10H,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 321.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95586221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).