6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

C18H18FN3O2 — CID 125017066

IUPAC6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(N1CCC[C@@H]1c1ccnc(=O)[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN3O2/c19-13-5-2-1-4-12(13)18(8-9-18)16(23)22-11-3-6-15(22)14-7-10-20-17(24)21-14/h1-2,4-5,7,10,15H,3,6,8-9,11H2,(H,20,21,24)/t15-/m1/s1
InChIKeyXEUVNOLXIIRLGG-OAHLLOKOSA-N
MW327.36 g/mol
LogP2.30
Rot. Bonds3

About 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 125017066) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID125017066
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESO=C(N1CCC[C@@H]1c1ccnc(=O)[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN3O2/c19-13-5-2-1-4-12(13)18(8-9-18)16(23)22-11-3-6-15(22)14-7-10-20-17(24)21-14/h1-2,4-5,7,10,15H,3,6,8-9,11H2,(H,20,21,24)/t15-/m1/s1
InChIKeyXEUVNOLXIIRLGG-OAHLLOKOSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 129453255
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125003153
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114866
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124985560
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 125017066) is 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is O=C(N1CCC[C@@H]1c1ccnc(=O)[nH]1)C1(c2ccccc2F)CC1.
What is the InChIKey of 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is XEUVNOLXIIRLGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-5-2-1-4-12(13)18(8-9-18)16(23)22-11-3-6-15(22)14-7-10-20-17(24)21-14/h1-2,4-5,7,10,15H,3,6,8-9,11H2,(H,20,21,24)/t15-/m1/s1.
What are the key properties of 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 125017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).