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

C15H14N2O7 — CID 929149

IUPAC5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H14N2O7/c1-17-13(19)9(12(18)16-15(17)21)10-6-4-5-7(22-2)11(23-3)8(6)14(20)24-10/h4-5,10,19H,1-3H3,(H,16,18,21)/t10-/m0/s1
InChIKeyMFLPRSYMBSZBLP-JTQLQIEISA-N
MW334.28 g/mol
LogP0.06
Rot. Bonds3

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

5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 929149) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID929149
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H14N2O7/c1-17-13(19)9(12(18)16-15(17)21)10-6-4-5-7(22-2)11(23-3)8(6)14(20)24-10/h4-5,10,19H,1-3H3,(H,16,18,21)/t10-/m0/s1
InChIKeyMFLPRSYMBSZBLP-JTQLQIEISA-N
XLogP0.06
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 40944539
1-[(2R)-butan-2-yl]-5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 1426608
4-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-methyl-1,2-dihydropyrazol-3-one
CID 40920868
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3478799
4-(dihydroxyamino)-2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)phenolate
CID 163117451
3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54720974
(3R)-3,6,7-trimethoxy-3H-2-benzofuran-1-one
CID 692411
3-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3872711
5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135430110
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398
(3R)-6,7-dimethoxy-3-(2-oxopropyl)-3H-2-benzofuran-1-one
CID 928822

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 929149) is 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione is COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is MFLPRSYMBSZBLP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N2O7/c1-17-13(19)9(12(18)16-15(17)21)10-6-4-5-7(22-2)11(23-3)8(6)14(20)24-10/h4-5,10,19H,1-3H3,(H,16,18,21)/t10-/m0/s1.
What are the key properties of 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione?
5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 334.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 929149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).