6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione

C19H14N2O6 — CID 2293398

IUPAC6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c([C@@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H14N2O6/c1-26-11-6-4-5-10(9-11)21-17(23)14(16(22)20-19(21)25)15-12-7-2-3-8-13(12)18(24)27-15/h2-9,15,23H,1H3,(H,20,22,25)/t15-/m1/s1
InChIKeySLOUGUVXEXQZKT-OAHLLOKOSA-N
MW366.33 g/mol
LogP1.50
Rot. Bonds3

About 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione

6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (PubChem CID 2293398) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
PubChem CID2293398
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c([C@@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H14N2O6/c1-26-11-6-4-5-10(9-11)21-17(23)14(16(22)20-19(21)25)15-12-7-2-3-8-13(12)18(24)27-15/h2-9,15,23H,1H3,(H,20,22,25)/t15-/m1/s1
InChIKeySLOUGUVXEXQZKT-OAHLLOKOSA-N
XLogP1.50
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione 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

6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
CID 40901308
1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 1325253
1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 40916141
1-(2-fluorophenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one
CID 171982474
1-(2-chlorophenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one
CID 56691656
4-hydroxy-6-methoxy-3-(3-oxo-1H-2-benzofuran-1-yl)chromen-2-one
CID 54748924
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 4907666
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3479756
5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1390549

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (CID 2293398) is 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is COc1cccc(-n2c(O)c([C@@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The InChIKey is SLOUGUVXEXQZKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H14N2O6/c1-26-11-6-4-5-10(9-11)21-17(23)14(16(22)20-19(21)25)15-12-7-2-3-8-13(12)18(24)27-15/h2-9,15,23H,1H3,(H,20,22,25)/t15-/m1/s1.
What are the key properties of 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione has a molecular weight of 366.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 2293398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).