Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

C₅₅H₆₃F₃N₁₈O₅ — CID 158101492

About Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 158101492) has the molecular formula C₅₅H₆₃F₃N₁₈O₅ and a molecular weight of 1113.22 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
• PubChem CID: 158101492
• Molecular Formula: C₅₅H₆₃F₃N₁₈O₅
• Molecular Weight: 1113.22 g/mol
• Exact Mass: 1112.52
• IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
• InChI: InChI=1S/C20H23FN6O2.C15H15FN6.C11H7FN4O.C9H18N2O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17;16-10-1-2-14-19-8-12(22(14)9-10)15-18-6-4-13(21-15)20-11-3-5-17-7-11;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25);1-2,4,6,8-9,11,17H,3,5,7H2,(H,18,20,21);1-6H,(H,13,15,17);7H,4-6,10H2,1-3H3/t14-;11-;;7-/m11.1/s1
• InChIKey: FPHUGVPNMUBDIH-HMGNXUOSSA-N
• XLogP: 7.23
• TPSA: 270.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.22
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?

The IUPAC name of Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 158101492) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

What is the SMILES notation for Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?

The canonical SMILES for Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1.

What is the InChIKey of Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?

The InChIKey is FPHUGVPNMUBDIH-HMGNXUOSSA-N. The full InChI is InChI=1S/C20H23FN6O2.C15H15FN6.C11H7FN4O.C9H18N2O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17;16-10-1-2-14-19-8-12(22(14)9-10)15-18-6-4-13(21-15)20-11-3-5-17-7-11;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25);1-2,4,6,8-9,11,17H,3,5,7H2,(H,18,20,21);1-6H,(H,13,15,17);7H,4-6,10H2,1-3H3/t14-;11-;;7-/m11.1/s1.

What are the key properties of Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?

Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 1113.22 g/mol, XLogP of 7.23, 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-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 158101492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158101492 — identifiers, structure, computed properties (public domain)

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