2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone

C23H24N4O — CID 112848714

About 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 112848714) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
• PubChem CID: 112848714
• Molecular Formula: C23H24N4O
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.20
• IUPAC Name: 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
• SMILES: Cc1nc(Nc2ccccc2C(C)C)cc(C(=O)N2CCc3ccccc32)n1
• InChI: InChI=1S/C23H24N4O/c1-15(2)18-9-5-6-10-19(18)26-22-14-20(24-16(3)25-22)23(28)27-13-12-17-8-4-7-11-21(17)27/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26)
• InChIKey: POGLFOAQCJPGBC-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?

The IUPAC name of 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (CID 112848714) is 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.

What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?

The canonical SMILES for 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is Cc1nc(Nc2ccccc2C(C)C)cc(C(=O)N2CCc3ccccc32)n1.

What is the InChIKey of 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?

The InChIKey is POGLFOAQCJPGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)18-9-5-6-10-19(18)26-22-14-20(24-16(3)25-22)23(28)27-13-12-17-8-4-7-11-21(17)27/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26).

What are the key properties of 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?

2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 112848714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).