1-(2-pyridin-2-ylethyl)pyrimidin-2-one

C11H11N3O — CID 116618349

IUPAC1-(2-pyridin-2-ylethyl)pyrimidin-2-one
SMILESO=c1ncccn1CCc1ccccn1
InChIInChI=1S/C11H11N3O/c15-11-13-7-3-8-14(11)9-5-10-4-1-2-6-12-10/h1-4,6-8H,5,9H2
InChIKeyLIZTWTNDQHZYCE-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)pyrimidin-2-one

1-(2-pyridin-2-ylethyl)pyrimidin-2-one (PubChem CID 116618349) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)pyrimidin-2-one
PubChem CID116618349
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(2-pyridin-2-ylethyl)pyrimidin-2-one
SMILESO=c1ncccn1CCc1ccccn1
InChIInChI=1S/C11H11N3O/c15-11-13-7-3-8-14(11)9-5-10-4-1-2-6-12-10/h1-4,6-8H,5,9H2
InChIKeyLIZTWTNDQHZYCE-UHFFFAOYSA-N
XLogP0.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63812391
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63801481
1-(3,3-dimethylbutyl)pyrimidin-2-one
CID 116618251
1-[2-(ethylamino)ethyl]pyrimidin-2-one
CID 61386971
1-(9-bromononyl)pyrimidin-2-one
CID 105343065

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-pyridin-2-ylethyl)pyrimidin-2-one (CID 116618349) is 1-(2-pyridin-2-ylethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)pyrimidin-2-one is O=c1ncccn1CCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)pyrimidin-2-one?
The InChIKey is LIZTWTNDQHZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11-13-7-3-8-14(11)9-5-10-4-1-2-6-12-10/h1-4,6-8H,5,9H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)pyrimidin-2-one?
1-(2-pyridin-2-ylethyl)pyrimidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)pyrimidin-2-one is sourced from PubChem (CID 116618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).