2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid

C65H68N12O7 — CID 157261852

About 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid

2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 157261852) has the molecular formula C65H68N12O7 and a molecular weight of 1129.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
• PubChem CID: 157261852
• Molecular Formula: C65H68N12O7
• Molecular Weight: 1129.34 g/mol
• Exact Mass: 1128.53
• IUPAC Name: 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
• SMILES: C.Nc1ccc(-c2cn3cc(N)cnc3n2)cc1.O=C(Cc1cnc2nc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3)cn2c1)[C@@H]1CCCN1C(=O)Cc1ccccc1.O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1
• InChI: InChI=1S/C39H38N6O4.C13H15NO3.C12H11N5.CH4/c46-35(33-13-7-19-44(33)36(47)22-27-9-3-1-4-10-27)21-29-24-40-39-42-32(26-43(39)25-29)30-15-17-31(18-16-30)41-38(49)34-14-8-20-45(34)37(48)23-28-11-5-2-6-12-28;15-12(9-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17;13-9-3-1-8(2-4-9)11-7-17-6-10(14)5-15-12(17)16-11;/h1-6,9-12,15-18,24-26,33-34H,7-8,13-14,19-23H2,(H,41,49);1-3,5-6,11H,4,7-9H2,(H,16,17);1-7H,13-14H2;1H4/t33-,34-;11-;;/m00../s1
• InChIKey: AXNZULCOJUXJJF-DWMCKBFPSA-N
• XLogP: 8.42
• TPSA: 256.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.34
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid (CID 157261852) is 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid is C.Nc1ccc(-c2cn3cc(N)cnc3n2)cc1.O=C(Cc1cnc2nc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3)cn2c1)[C@@H]1CCCN1C(=O)Cc1ccccc1.O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1.

What is the InChIKey of 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?

The InChIKey is AXNZULCOJUXJJF-DWMCKBFPSA-N. The full InChI is InChI=1S/C39H38N6O4.C13H15NO3.C12H11N5.CH4/c46-35(33-13-7-19-44(33)36(47)22-27-9-3-1-4-10-27)21-29-24-40-39-42-32(26-43(39)25-29)30-15-17-31(18-16-30)41-38(49)34-14-8-20-45(34)37(48)23-28-11-5-2-6-12-28;15-12(9-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17;13-9-3-1-8(2-4-9)11-7-17-6-10(14)5-15-12(17)16-11;/h1-6,9-12,15-18,24-26,33-34H,7-8,13-14,19-23H2,(H,41,49);1-3,5-6,11H,4,7-9H2,(H,16,17);1-7H,13-14H2;1H4/t33-,34-;11-;;/m00../s1.

What are the key properties of 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid?

2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 1129.34 g/mol, XLogP of 8.42, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)imidazo[1,2-a]pyrimidin-6-amine;methane;(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157261852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).