3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

C12H13N3O3S — CID 55131726

IUPAC3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2sccc2c1=O)N1CCC(O)C1
InChIInChI=1S/C12H13N3O3S/c16-8-1-3-14(5-8)10(17)6-15-7-13-11-9(12(15)18)2-4-19-11/h2,4,7-8,16H,1,3,5-6H2
InChIKeyYMKDXKIKVZXTEQ-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.05
Rot. Bonds2

About 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 55131726) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID55131726
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2sccc2c1=O)N1CCC(O)C1
InChIInChI=1S/C12H13N3O3S/c16-8-1-3-14(5-8)10(17)6-15-7-13-11-9(12(15)18)2-4-19-11/h2,4,7-8,16H,1,3,5-6H2
InChIKeyYMKDXKIKVZXTEQ-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-oxo-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 136533510
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-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 61410944
(2S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136713
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136795
3-methyl-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119256435
N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 103280683
3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 27687434
(4R)-3-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145121
3-[2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 132970037
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 104927943

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 55131726) is 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2sccc2c1=O)N1CCC(O)C1.
What is the InChIKey of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YMKDXKIKVZXTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-8-1-3-14(5-8)10(17)6-15-7-13-11-9(12(15)18)2-4-19-11/h2,4,7-8,16H,1,3,5-6H2.
What are the key properties of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55131726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).