1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

C24H25N7O4S — CID 122350100

About 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (PubChem CID 122350100) has the molecular formula C24H25N7O4S and a molecular weight of 507.58 g/mol. Its IUPAC name is 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
• PubChem CID: 122350100
• Molecular Formula: C24H25N7O4S
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.17
• IUPAC Name: 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
• SMILES: Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)n1
• InChI: InChI=1S/C24H25N7O4S/c1-17-26-21(28-20-4-2-3-11-25-20)16-22(27-17)29-12-14-30(15-13-29)36(34,35)19-7-5-18(6-8-19)31-23(32)9-10-24(31)33/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26,27,28)
• InChIKey: CQSDLLHRDPPRBJ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 128.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (CID 122350100) is 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)n1.

What is the InChIKey of 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?

The InChIKey is CQSDLLHRDPPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4S/c1-17-26-21(28-20-4-2-3-11-25-20)16-22(27-17)29-12-14-30(15-13-29)36(34,35)19-7-5-18(6-8-19)31-23(32)9-10-24(31)33/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26,27,28).

What are the key properties of 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?

1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione has a molecular weight of 507.58 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122350100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).