5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C12H10N2O5 — CID 135434362

IUPAC5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O5/c1-19-7-4-2-3-6(5-7)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeySTRWJVMVKMROHR-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.85
Rot. Bonds3

About 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434362) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434362
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O5/c1-19-7-4-2-3-6(5-7)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeySTRWJVMVKMROHR-UHFFFAOYSA-N
XLogP0.85
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 54704161
5,6-Dihydroxy-2-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 135410230
2-(3-Benzyloxyphenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135434352
4-Hydroxy-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135478115
2-(3-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 12535855
1-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]-6-methylpyrimidine-2,4-dione
CID 145979747
2-(3-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535856
methyl 5-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 168285771
5,6-Dihydroxy-2-[2-(phenoxymethyl)phenyl]pyrimidine-4-carboxylic acid
CID 135434251
5,6-Dihydroxy-2-(2-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 135434259
2-{3-[(2-Chloro-4-fluorophenyl)methoxy]phenyl}-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434301
2-{3-[(2-Fluoro-3-methylphenyl)methoxy]phenyl}-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434321

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434362) is 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is COc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1.
What is the InChIKey of 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is STRWJVMVKMROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-19-7-4-2-3-6(5-7)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).