6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

C15H17N3O2S — CID 124985560

IUPAC6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(CCc1cccs1)N1CCC[C@H]1c1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O2S/c19-14(6-5-11-3-2-10-21-11)18-9-1-4-13(18)12-7-8-16-15(20)17-12/h2-3,7-8,10,13H,1,4-6,9H2,(H,16,17,20)/t13-/m0/s1
InChIKeyNSPGLOVKGHGLJT-ZDUSSCGKSA-N
MW303.39 g/mol
LogP2.13
Rot. Bonds4

About 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 124985560) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID124985560
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(CCc1cccs1)N1CCC[C@H]1c1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O2S/c19-14(6-5-11-3-2-10-21-11)18-9-1-4-13(18)12-7-8-16-15(20)17-12/h2-3,7-8,10,13H,1,4-6,9H2,(H,16,17,20)/t13-/m0/s1
InChIKeyNSPGLOVKGHGLJT-ZDUSSCGKSA-N
XLogP2.13
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124963053
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008033
6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114866
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95569607
1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95605886
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 124985560) is 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is O=C(CCc1cccs1)N1CCC[C@H]1c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is NSPGLOVKGHGLJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(6-5-11-3-2-10-21-11)18-9-1-4-13(18)12-7-8-16-15(20)17-12/h2-3,7-8,10,13H,1,4-6,9H2,(H,16,17,20)/t13-/m0/s1.
What are the key properties of 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 303.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124985560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).