6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

C14H16N2O5 — CID 91050887

About 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 91050887) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
• PubChem CID: 91050887
• Molecular Formula: C14H16N2O5
• Molecular Weight: 292.29 g/mol
• Exact Mass: 292.11
• IUPAC Name: 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
• SMILES: COc1cc(C2NC(=O)N=C(C)C2C(=O)O)cc(C)c1O
• InChI: InChI=1S/C14H16N2O5/c1-6-4-8(5-9(21-3)12(6)17)11-10(13(18)19)7(2)15-14(20)16-11/h4-5,10-11,17H,1-3H3,(H,16,20)(H,18,19)
• InChIKey: HMLDSVHSHHHONO-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 108.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.29
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?

The IUPAC name of 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (CID 91050887) is 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.

What is the SMILES notation for 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?

The canonical SMILES for 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is COc1cc(C2NC(=O)N=C(C)C2C(=O)O)cc(C)c1O.

What is the InChIKey of 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?

The InChIKey is HMLDSVHSHHHONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-6-4-8(5-9(21-3)12(6)17)11-10(13(18)19)7(2)15-14(20)16-11/h4-5,10-11,17H,1-3H3,(H,16,20)(H,18,19).

What are the key properties of 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?

6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-hydroxy-3-methoxy-5-methylphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91050887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).