2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C₂₀H₂₆N₈O₂S — CID 122350088

About 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122350088) has the molecular formula C₂₀H₂₆N₈O₂S and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
• PubChem CID: 122350088
• Molecular Formula: C₂₀H₂₆N₈O₂S
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.19
• IUPAC Name: 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
• SMILES: Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)n1
• InChI: InChI=1S/C20H26N8O2S/c1-15(2)27-13-20(22-14-27)31(29,30)28-10-8-26(9-11-28)19-12-18(23-16(3)24-19)25-17-6-4-5-7-21-17/h4-7,12-15H,8-11H2,1-3H3,(H,21,23,24,25)
• InChIKey: NSTMOQGTUMLOAI-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?

The IUPAC name of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 122350088) is 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

What is the SMILES notation for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?

The canonical SMILES for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)n1.

What is the InChIKey of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?

The InChIKey is NSTMOQGTUMLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c1-15(2)27-13-20(22-14-27)31(29,30)28-10-8-26(9-11-28)19-12-18(23-16(3)24-19)25-17-6-4-5-7-21-17/h4-7,12-15H,8-11H2,1-3H3,(H,21,23,24,25).

What are the key properties of 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?

2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 442.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122350088 — identifiers, structure, computed properties (public domain)

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