6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one

C15H12N2O3 — CID 23625830

IUPAC2-(4-methoxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESCOC1=CC=C(C=C1)C2=CC(=O)N3C(=O)C=CC=C3N2
InChIInChI=1S/C15H12N2O3/c1-20-11-7-5-10(6-8-11)12-9-15(19)17-13(16-12)3-2-4-14(17)18/h2-9,16H,1H3
InChIKeyVNJHTYQWRHCOIM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.80
Rot. Bonds2

About 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one

6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 23625830) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione.

Molecular Properties

Compound Name6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID23625830
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(4-methoxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESCOC1=CC=C(C=C1)C2=CC(=O)N3C(=O)C=CC=C3N2
InChIInChI=1S/C15H12N2O3/c1-20-11-7-5-10(6-8-11)12-9-15(19)17-13(16-12)3-2-4-14(17)18/h2-9,16H,1H3
InChIKeyVNJHTYQWRHCOIM-UHFFFAOYSA-N
XLogP1.80
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity525

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, dihydro-1-((4-methoxyphenyl)methyl)-
CID 148737
1,2-Dihydro-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 948702
6-hydroxy-2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625831
7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 883504
2-Amino-6-(4-methoxyphenyl)pyrimidin-4-ol
CID 135648979
1-[(4-Ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 659160
6-(4-isopropoxyphenyl)pyrimidine-2,4(1H,3H)-dione
CID 789298
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide
CID 2148433
1-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 118713500
5-Methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 118713501
5,6-Dimethyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 118713502

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CID 23625830) is 2-(4-methoxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,6-dione.
What is the SMILES notation for 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one is COC1=CC=C(C=C1)C2=CC(=O)N3C(=O)C=CC=C3N2.
What is the InChIKey of 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VNJHTYQWRHCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-7-5-10(6-8-11)12-9-15(19)17-13(16-12)3-2-4-14(17)18/h2-9,16H,1H3.
What are the key properties of 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 268.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23625830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).