2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one

C17H15N3O2 — CID 155932622

IUPAC2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1ccc(-c2nccc(=O)n2Cc2ccccn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-7-5-13(6-8-15)17-19-11-9-16(21)20(17)12-14-4-2-3-10-18-14/h2-11H,12H2,1H3
InChIKeyMDPKJVBHWANCCH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one

2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one (PubChem CID 155932622) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one
PubChem CID155932622
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1ccc(-c2nccc(=O)n2Cc2ccccn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-7-5-13(6-8-15)17-19-11-9-16(21)20(17)12-14-4-2-3-10-18-14/h2-11H,12H2,1H3
InChIKeyMDPKJVBHWANCCH-UHFFFAOYSA-N
XLogP2.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-methoxyphenyl)-6-oxo-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
CID 155932698
4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine
CID 46918820
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 664086
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110556060
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110556081
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108576535
2-methoxy-6-methyl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 79375277
5-methoxy-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 115322105
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one (CID 155932622) is 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one is COc1ccc(-c2nccc(=O)n2Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is MDPKJVBHWANCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-7-5-13(6-8-15)17-19-11-9-16(21)20(17)12-14-4-2-3-10-18-14/h2-11H,12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one?
2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 293.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 155932622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).