(3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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

C88H103BBrCl3F6N24O9 — CID 167710301

About (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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

(3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 167710301) has the molecular formula C88H103BBrCl3F6N24O9 and a molecular weight of 1952.01 g/mol. Its IUPAC name is (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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: (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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: 167710301
• Molecular Formula: C88H103BBrCl3F6N24O9
• Molecular Weight: 1952.01 g/mol
• Exact Mass: 1948.66
• IUPAC Name: (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cnc(N)[nH]2)nc(N2CCOCC2)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/C26H30F3N7O2.C20H28BF3N2O3.C15H14ClN5O.C12H14ClN5O.C11H12BrClN2O2.C4H5N3/c1-16-2-3-19(32-25(37)36-5-4-17(15-36)13-26(27,28)29)12-20(16)18-10-21(22-14-31-24(30)34-22)33-23(11-18)35-6-8-38-9-7-35;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/h2-3,10-12,14,17H,4-9,13,15H2,1H3,(H,32,37)(H3,30,31,34);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)/t17-;14-;;;;/m00..../s1
• InChIKey: ZSOFZKDOGODWMB-CZWKQQRCSA-N
• XLogP: 14.81
• TPSA: 393.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.01
LogP ≤ 5	14.81
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 (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 167710301) is (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cnc(N)[nH]2)nc(N2CCOCC2)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 (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 ZSOFZKDOGODWMB-CZWKQQRCSA-N. The full InChI is InChI=1S/C26H30F3N7O2.C20H28BF3N2O3.C15H14ClN5O.C12H14ClN5O.C11H12BrClN2O2.C4H5N3/c1-16-2-3-19(32-25(37)36-5-4-17(15-36)13-26(27,28)29)12-20(16)18-10-21(22-14-31-24(30)34-22)33-23(11-18)35-6-8-38-9-7-35;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/h2-3,10-12,14,17H,4-9,13,15H2,1H3,(H,32,37)(H3,30,31,34);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)/t17-;14-;;;;/m00..../s1.

What are the key properties of (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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?

(3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 1952.01 g/mol, XLogP of 14.81, 15 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[2-(2-amino-1H-imidazol-5-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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;(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 167710301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).