N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C19H28N8O2S — CID 122290309

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122290309) has the molecular formula C19H28N8O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
• PubChem CID: 122290309
• Molecular Formula: C19H28N8O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.21
• IUPAC Name: N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
• SMILES: Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cn(C)c(C(C)C)n3)nc(C)n2)n1
• InChI: InChI=1S/C19H28N8O2S/c1-12(2)19-24-18(11-26(19)6)30(28,29)21-8-7-20-16-10-17(23-15(5)22-16)27-14(4)9-13(3)25-27/h9-12,21H,7-8H2,1-6H3,(H,20,22,23)
• InChIKey: ZAOGZMFJFDANRD-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?

The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 122290309) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?

The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cn(C)c(C(C)C)n3)nc(C)n2)n1.

What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?

The InChIKey is ZAOGZMFJFDANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O2S/c1-12(2)19-24-18(11-26(19)6)30(28,29)21-8-7-20-16-10-17(23-15(5)22-16)27-14(4)9-13(3)25-27/h9-12,21H,7-8H2,1-6H3,(H,20,22,23).

What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122290309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).