(3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine

C90H112BBrCl3F3N24O9 — CID 165078339

About (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine

(3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine (PubChem CID 165078339) has the molecular formula C90H112BBrCl3F3N24O9 and a molecular weight of 1928.11 g/mol. Its IUPAC name is (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine.

Molecular Properties

• Compound Name: (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine
• PubChem CID: 165078339
• Molecular Formula: C90H112BBrCl3F3N24O9
• Molecular Weight: 1928.11 g/mol
• Exact Mass: 1924.73
• IUPAC Name: (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine
• SMILES: CC.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnc(N)[nH]4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cn3cccnc3n2)nc(N2CCOCC2)c1.Nc1ncc(-c2cc(Cl)cc(N3CCOCC3)n2)[nH]1.Nc1ncccn1.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C26H33N7O2.C20H28BF3N2O3.C15H14ClN5O.C12H14ClN5O.C11H12BrClN2O2.C4H5N3.C2H6/c1-3-18-6-7-33(16-18)26(34)29-20-5-4-17(2)21(14-20)19-12-22(23-15-28-25(27)31-23)30-24(13-19)32-8-10-35-11-9-32;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;16-11-8-12(13-10-21-3-1-2-17-15(21)19-13)18-14(9-11)20-4-6-22-7-5-20;13-8-5-9(10-7-15-12(14)17-10)16-11(6-8)18-1-3-19-4-2-18;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;5-4-6-2-1-3-7-4;1-2/h4-5,12-15,18H,3,6-11,16H2,1-2H3,(H,29,34)(H3,27,28,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-3,8-10H,4-7H2;5-7H,1-4H2,(H3,14,15,17);5-6H,1-4,7H2;1-3H,(H2,5,6,7);1-2H3/t18-;14-;;;;;/m10...../s1
• InChIKey: URVGSJBOGUPMRE-PJFTVDQNSA-N
• XLogP: 15.29
• TPSA: 393.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.11
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine?

The IUPAC name of (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine (CID 165078339) is (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine.

What is the SMILES notation for (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine?

The canonical SMILES for (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine is CC.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnc(N)[nH]4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cn3cccnc3n2)nc(N2CCOCC2)c1.Nc1ncc(-c2cc(Cl)cc(N3CCOCC3)n2)[nH]1.Nc1ncccn1.O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine?

The InChIKey is URVGSJBOGUPMRE-PJFTVDQNSA-N. The full InChI is InChI=1S/C26H33N7O2.C20H28BF3N2O3.C15H14ClN5O.C12H14ClN5O.C11H12BrClN2O2.C4H5N3.C2H6/c1-3-18-6-7-33(16-18)26(34)29-20-5-4-17(2)21(14-20)19-12-22(23-15-28-25(27)31-23)30-24(13-19)32-8-10-35-11-9-32;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;16-11-8-12(13-10-21-3-1-2-17-15(21)19-13)18-14(9-11)20-4-6-22-7-5-20;13-8-5-9(10-7-15-12(14)17-10)16-11(6-8)18-1-3-19-4-2-18;12-7-10(16)9-5-8(13)6-11(14-9)15-1-3-17-4-2-15;5-4-6-2-1-3-7-4;1-2/h4-5,12-15,18H,3,6-11,16H2,1-2H3,(H,29,34)(H3,27,28,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-3,8-10H,4-7H2;5-7H,1-4H2,(H3,14,15,17);5-6H,1-4,7H2;1-3H,(H2,5,6,7);1-2H3/t18-;14-;;;;;/m10...../s1.

What are the key properties of (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine?

(3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine has a molecular weight of 1928.11 g/mol, XLogP of 15.29, 15 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2-bromo-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone;4-(4-chloro-6-imidazo[1,2-a]pyrimidin-2-yl-2-pyridinyl)morpholine;5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1H-imidazol-2-amine;ethane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;pyrimidin-2-amine is sourced from PubChem (CID 165078339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).