2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine

C46H60F2N12O5 — CID 163491401

About 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine

2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine (PubChem CID 163491401) has the molecular formula C46H60F2N12O5 and a molecular weight of 899.06 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine
• PubChem CID: 163491401
• Molecular Formula: C46H60F2N12O5
• Molecular Weight: 899.06 g/mol
• Exact Mass: 898.48
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine
• SMILES: Cc1cc(N)nc(N2CCO[C@H](C)C2)n1.Cc1cc(NC(=O)c2ccc(F)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1.O=C(O)c1ccc(F)nc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C23H29FN6O2.C13H15FN2O2.C10H16N4O/c1-15-13-19(28-22(25-15)30-11-12-32-16(2)14-30)27-21(31)17-3-4-18(24)26-20(17)29-9-7-23(5-6-23)8-10-29;14-10-2-1-9(12(17)18)11(15-10)16-7-5-13(3-4-13)6-8-16;1-7-5-9(11)13-10(12-7)14-3-4-15-8(2)6-14/h3-4,13,16H,5-12,14H2,1-2H3,(H,25,27,28,31);1-2H,3-8H2,(H,17,18);5,8H,3-4,6H2,1-2H3,(H2,11,12,13)/t16-;;8-/m1.1/s1
• InChIKey: CMXXWGHJEOUXLQ-DJJOZGAOSA-N
• XLogP: 6.07
• TPSA: 201.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.06
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine (CID 163491401) is 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine is Cc1cc(N)nc(N2CCO[C@H](C)C2)n1.Cc1cc(NC(=O)c2ccc(F)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1.O=C(O)c1ccc(F)nc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine?

The InChIKey is CMXXWGHJEOUXLQ-DJJOZGAOSA-N. The full InChI is InChI=1S/C23H29FN6O2.C13H15FN2O2.C10H16N4O/c1-15-13-19(28-22(25-15)30-11-12-32-16(2)14-30)27-21(31)17-3-4-18(24)26-20(17)29-9-7-23(5-6-23)8-10-29;14-10-2-1-9(12(17)18)11(15-10)16-7-5-13(3-4-13)6-8-16;1-7-5-9(11)13-10(12-7)14-3-4-15-8(2)6-14/h3-4,13,16H,5-12,14H2,1-2H3,(H,25,27,28,31);1-2H,3-8H2,(H,17,18);5,8H,3-4,6H2,1-2H3,(H2,11,12,13)/t16-;;8-/m1.1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine?

2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine has a molecular weight of 899.06 g/mol, XLogP of 6.07, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid;6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 163491401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).