3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

C14H17N3O3S — CID 94053975

IUPAC3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CO1
InChIInChI=1S/C14H17N3O3S/c1-9-7-20-10(2)5-17(9)12(18)6-16-8-15-13-11(14(16)19)3-4-21-13/h3-4,8-10H,5-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyXUCPQHMQRBIHTP-UWVGGRQHSA-N
MW307.38 g/mol
LogP1.09
Rot. Bonds2

About 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 94053975) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID94053975
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CO1
InChIInChI=1S/C14H17N3O3S/c1-9-7-20-10(2)5-17(9)12(18)6-16-8-15-13-11(14(16)19)3-4-21-13/h3-4,8-10H,5-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyXUCPQHMQRBIHTP-UWVGGRQHSA-N
XLogP1.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
(2S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136713
3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 61410944
(4R)-3-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145121
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
3-[2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 132970037
3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 138023552
methyl (3R)-2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8594728
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553
3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 95582439
3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594439
3-[2-[2-(3,4-dichlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 42906271

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 94053975) is 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CO1.
What is the InChIKey of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XUCPQHMQRBIHTP-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-7-20-10(2)5-17(9)12(18)6-16-8-15-13-11(14(16)19)3-4-21-13/h3-4,8-10H,5-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 307.38 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 94053975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).