6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one

C10H9N3O — CID 67285058

IUPAC6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(Cc2ccncc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-10-12-6-3-9(13-10)7-8-1-4-11-5-2-8/h1-6H,7H2,(H,12,13,14)
InChIKeyJGHGPHHOEPLXKT-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.76
Rot. Bonds2

About 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one

6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one (PubChem CID 67285058) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
PubChem CID67285058
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(Cc2ccncc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-10-12-6-3-9(13-10)7-8-1-4-11-5-2-8/h1-6H,7H2,(H,12,13,14)
InChIKeyJGHGPHHOEPLXKT-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(pyridin-4-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one (CID 67285058) is 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one is O=c1nccc(Cc2ccncc2)[nH]1.
What is the InChIKey of 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one?
The InChIKey is JGHGPHHOEPLXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-12-6-3-9(13-10)7-8-1-4-11-5-2-8/h1-6H,7H2,(H,12,13,14).
What are the key properties of 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one?
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one has a molecular weight of 187.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 67285058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).