2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide

C26H36N6O5S — CID 148943618

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide (PubChem CID 148943618) has the molecular formula C26H36N6O5S and a molecular weight of 544.68 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide
• PubChem CID: 148943618
• Molecular Formula: C26H36N6O5S
• Molecular Weight: 544.68 g/mol
• Exact Mass: 544.25
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1
• InChI: InChI=1S/C26H36N6O5S/c1-18-15-23(29-25(27-18)32-11-13-37-19(2)17-32)28-24(34)21-4-3-20(30-38(35,36)14-12-33)16-22(21)31-9-7-26(5-6-26)8-10-31/h3-4,15-16,19,30,33H,5-14,17H2,1-2H3,(H,27,28,29,34)/t19-/m1/s1
• InChIKey: POKANPPMADPXNT-LJQANCHMSA-N
• XLogP: 2.38
• TPSA: 136.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.68
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide (CID 148943618) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide?

The InChIKey is POKANPPMADPXNT-LJQANCHMSA-N. The full InChI is InChI=1S/C26H36N6O5S/c1-18-15-23(29-25(27-18)32-11-13-37-19(2)17-32)28-24(34)21-4-3-20(30-38(35,36)14-12-33)16-22(21)31-9-7-26(5-6-26)8-10-31/h3-4,15-16,19,30,33H,5-14,17H2,1-2H3,(H,27,28,29,34)/t19-/m1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide has a molecular weight of 544.68 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 148943618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).