tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one

C61H75F3N18O5 — CID 160953835

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 160953835) has the molecular formula C61H75F3N18O5 and a molecular weight of 1197.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one
• PubChem CID: 160953835
• Molecular Formula: C61H75F3N18O5
• Molecular Weight: 1197.39 g/mol
• Exact Mass: 1196.61
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Cc1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCNC1
• InChI: InChI=1S/C22H27FN6O2.C17H19FN6.C12H9FN4O.C10H20N2O2/c1-14-10-25-20(17-11-24-18-8-7-15(23)12-29(17)18)27-19(14)26-16-6-5-9-28(13-16)21(30)31-22(2,3)4;1-11-7-21-17(23-16(11)22-13-3-2-6-19-8-13)14-9-20-15-5-4-12(18)10-24(14)15;1-7-4-15-11(16-12(7)18)9-5-14-10-3-2-8(13)6-17(9)10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,25,26,27);4-5,7,9-10,13,19H,2-3,6,8H2,1H3,(H,21,22,23);2-6H,1H3,(H,15,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m11.1/s1
• InChIKey: SWCRKXQTRICUFA-ZOGAZUCJSA-N
• XLogP: 9.33
• TPSA: 270.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.39
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one (CID 160953835) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Cc1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCNC1.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one?

The InChIKey is SWCRKXQTRICUFA-ZOGAZUCJSA-N. The full InChI is InChI=1S/C22H27FN6O2.C17H19FN6.C12H9FN4O.C10H20N2O2/c1-14-10-25-20(17-11-24-18-8-7-15(23)12-29(17)18)27-19(14)26-16-6-5-9-28(13-16)21(30)31-22(2,3)4;1-11-7-21-17(23-16(11)22-13-3-2-6-19-8-13)14-9-20-15-5-4-12(18)10-24(14)15;1-7-4-15-11(16-12(7)18)9-5-14-10-3-2-8(13)6-17(9)10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,25,26,27);4-5,7,9-10,13,19H,2-3,6,8H2,1H3,(H,21,22,23);2-6H,1H3,(H,15,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m11.1/s1.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 1197.39 g/mol, XLogP of 9.33, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 160953835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).