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

C20H16N2O5 — CID 40916141

IUPAC1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2c(O)c([C@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H16N2O5/c1-10-7-8-11(2)14(9-10)22-18(24)15(17(23)21-20(22)26)16-12-5-3-4-6-13(12)19(25)27-16/h3-9,16,24H,1-2H3,(H,21,23,26)/t16-/m0/s1
InChIKeyXEBDIMWXDMZTSR-INIZCTEOSA-N
MW364.36 g/mol
LogP2.11
Rot. Bonds2

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

1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (PubChem CID 40916141) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
PubChem CID40916141
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(-n2c(O)c([C@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H16N2O5/c1-10-7-8-11(2)14(9-10)22-18(24)15(17(23)21-20(22)26)16-12-5-3-4-6-13(12)19(25)27-16/h3-9,16,24H,1-2H3,(H,21,23,26)/t16-/m0/s1
InChIKeyXEBDIMWXDMZTSR-INIZCTEOSA-N
XLogP2.11
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055
6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
CID 40901308
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398
1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 1325253
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
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
1-(2,5-dimethylphenyl)-6-hydroxy-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione
CID 4869897
6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 823995
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
CID 54733655
3-(2,5-dimethylanilino)-3H-2-benzofuran-1-one
CID 3302356

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (CID 40916141) is 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is Cc1ccc(C)c(-n2c(O)c([C@H]3OC(=O)c4ccccc43)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The InChIKey is XEBDIMWXDMZTSR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-10-7-8-11(2)14(9-10)22-18(24)15(17(23)21-20(22)26)16-12-5-3-4-6-13(12)19(25)27-16/h3-9,16,24H,1-2H3,(H,21,23,26)/t16-/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione has a molecular weight of 364.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 40916141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).