6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

C20H19N3O2 — CID 110114866

IUPAC6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC1c1ccnc(=O)[nH]1
InChIInChI=1S/C20H19N3O2/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)23-11-3-6-18(23)17-9-10-21-20(25)22-17/h1-2,4-5,7-10,12,18H,3,6,11,13H2,(H,21,22,25)
InChIKeyTXDIFAYYFKGPOS-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.83
Rot. Bonds3

About 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114866) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114866
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC1c1ccnc(=O)[nH]1
InChIInChI=1S/C20H19N3O2/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)23-11-3-6-18(23)17-9-10-21-20(25)22-17/h1-2,4-5,7-10,12,18H,3,6,11,13H2,(H,21,22,25)
InChIKeyTXDIFAYYFKGPOS-UHFFFAOYSA-N
XLogP2.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124985560
(3S,8aR)-3-methyl-2-(2-naphthalen-2-ylacetyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344097
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125017066
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114866) is 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is O=C(Cc1ccc2ccccc2c1)N1CCCC1c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is TXDIFAYYFKGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(13-14-7-8-15-4-1-2-5-16(15)12-14)23-11-3-6-18(23)17-9-10-21-20(25)22-17/h1-2,4-5,7-10,12,18H,3,6,11,13H2,(H,21,22,25).
What are the key properties of 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).