5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C18H15N3O4 — CID 157439446

IUPAC5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)cc1
InChIInChI=1S/C18H15N3O4/c1-25-12-7-5-11(6-8-12)10-14(22)15-16(23)18(24)21-17(20-15)13-4-2-3-9-19-13/h2-9,23H,10H2,1H3,(H,20,21,24)
InChIKeyBRMLUVBPNXEVFA-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.97
Rot. Bonds5

About 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 157439446) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID157439446
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)cc1
InChIInChI=1S/C18H15N3O4/c1-25-12-7-5-11(6-8-12)10-14(22)15-16(23)18(24)21-17(20-15)13-4-2-3-9-19-13/h2-9,23H,10H2,1H3,(H,20,21,24)
InChIKeyBRMLUVBPNXEVFA-UHFFFAOYSA-N
XLogP1.97
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 162060757
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306
5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 137037001
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 137223347
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601940
5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
CID 147538220
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-pyridin-2-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 175891684
7-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429613
2-(4-methoxyphenyl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714393

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 157439446) is 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is COc1ccc(CC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)cc1.
What is the InChIKey of 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is BRMLUVBPNXEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-12-7-5-11(6-8-12)10-14(22)15-16(23)18(24)21-17(20-15)13-4-2-3-9-19-13/h2-9,23H,10H2,1H3,(H,20,21,24).
What are the key properties of 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 337.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 157439446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).