1-(pyridin-3-ylmethyl)pyrimidin-2-one

C10H9N3O — CID 115590423

IUPAC1-(pyridin-3-ylmethyl)pyrimidin-2-one
SMILESO=c1ncccn1Cc1cccnc1
InChIInChI=1S/C10H9N3O/c14-10-12-5-2-6-13(10)8-9-3-1-4-11-7-9/h1-7H,8H2
InChIKeyCHZLDGITPSVCHR-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.69
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)pyrimidin-2-one

1-(pyridin-3-ylmethyl)pyrimidin-2-one (PubChem CID 115590423) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)pyrimidin-2-one
PubChem CID115590423
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-(pyridin-3-ylmethyl)pyrimidin-2-one
SMILESO=c1ncccn1Cc1cccnc1
InChIInChI=1S/C10H9N3O/c14-10-12-5-2-6-13(10)8-9-3-1-4-11-7-9/h1-7H,8H2
InChIKeyCHZLDGITPSVCHR-UHFFFAOYSA-N
XLogP0.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
CID 62563638
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136
1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
CID 62464183
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 58166492
5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
5-benzyl-1-(pyridin-3-ylmethyl)-2-sulfanylidenepyrimidin-4-one
CID 18470481
1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one
CID 103057009
1-(2-pyridin-3-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403614
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The IUPAC name of 1-(pyridin-3-ylmethyl)pyrimidin-2-one (CID 115590423) is 1-(pyridin-3-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 1-(pyridin-3-ylmethyl)pyrimidin-2-one is O=c1ncccn1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)pyrimidin-2-one?
The InChIKey is CHZLDGITPSVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-12-5-2-6-13(10)8-9-3-1-4-11-7-9/h1-7H,8H2.
What are the key properties of 1-(pyridin-3-ylmethyl)pyrimidin-2-one?
1-(pyridin-3-ylmethyl)pyrimidin-2-one has a molecular weight of 187.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 115590423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).