6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid

C23H20N6O5 — CID 130278244

About 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid

6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid (PubChem CID 130278244) has the molecular formula C23H20N6O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid
• PubChem CID: 130278244
• Molecular Formula: C23H20N6O5
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.15
• IUPAC Name: 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid
• SMILES: Cc1ccc(Cn2c(Nc3ccc(Oc4cncc(C(=O)O)n4)cc3)nc(=O)n(C)c2=O)cc1
• InChI: InChI=1S/C23H20N6O5/c1-14-3-5-15(6-4-14)13-29-21(27-22(32)28(2)23(29)33)25-16-7-9-17(10-8-16)34-19-12-24-11-18(26-19)20(30)31/h3-12H,13H2,1-2H3,(H,30,31)(H,25,27,32)
• InChIKey: DXVPJIFJSNYDPU-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 141.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid?

The IUPAC name of 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid (CID 130278244) is 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid.

What is the SMILES notation for 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid?

The canonical SMILES for 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid is Cc1ccc(Cn2c(Nc3ccc(Oc4cncc(C(=O)O)n4)cc3)nc(=O)n(C)c2=O)cc1.

What is the InChIKey of 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid?

The InChIKey is DXVPJIFJSNYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5/c1-14-3-5-15(6-4-14)13-29-21(27-22(32)28(2)23(29)33)25-16-7-9-17(10-8-16)34-19-12-24-11-18(26-19)20(30)31/h3-12H,13H2,1-2H3,(H,30,31)(H,25,27,32).

What are the key properties of 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid?

6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid has a molecular weight of 460.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 130278244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).