4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid

C21H20N4O2 — CID 113193343

About 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid

4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid (PubChem CID 113193343) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid.

Molecular Properties

• Compound Name: 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
• PubChem CID: 113193343
• Molecular Formula: C21H20N4O2
• Molecular Weight: 360.42 g/mol
• Exact Mass: 360.16
• IUPAC Name: 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
• SMILES: Cc1nc(Nc2ccc(C(=O)O)cc2)cc(N2c3ccccc3CC2C)n1
• InChI: InChI=1S/C21H20N4O2/c1-13-11-16-5-3-4-6-18(16)25(13)20-12-19(22-14(2)23-20)24-17-9-7-15(8-10-17)21(26)27/h3-10,12-13H,11H2,1-2H3,(H,26,27)(H,22,23,24)
• InChIKey: PABRWXSEWGFOMV-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.42
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid?

The IUPAC name of 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid (CID 113193343) is 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid.

What is the SMILES notation for 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid?

The canonical SMILES for 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid is Cc1nc(Nc2ccc(C(=O)O)cc2)cc(N2c3ccccc3CC2C)n1.

What is the InChIKey of 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid?

The InChIKey is PABRWXSEWGFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-11-16-5-3-4-6-18(16)25(13)20-12-19(22-14(2)23-20)24-17-9-7-15(8-10-17)21(26)27/h3-10,12-13H,11H2,1-2H3,(H,26,27)(H,22,23,24).

What are the key properties of 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid?

4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid has a molecular weight of 360.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid is sourced from PubChem (CID 113193343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).