(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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

C60H75BClF3N14O6 — CID 164967087

About (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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

(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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 (PubChem CID 164967087) has the molecular formula C60H75BClF3N14O6 and a molecular weight of 1191.61 g/mol. Its IUPAC name is (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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.

Molecular Properties

• Compound Name: (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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
• PubChem CID: 164967087
• Molecular Formula: C60H75BClF3N14O6
• Molecular Weight: 1191.61 g/mol
• Exact Mass: 1190.57
• IUPAC Name: (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1nccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1
• InChI: InChI=1S/C27H33N7O2.C20H28BF3N2O3.C13H14ClN5O/c1-3-19-7-9-34(17-19)27(35)30-21-5-4-18(2)22(16-21)20-14-24(23-6-8-29-26(28)32-23)31-25(15-20)33-10-12-36-13-11-33;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;14-9-7-11(10-1-2-16-13(15)18-10)17-12(8-9)19-3-5-20-6-4-19/h4-6,8,14-16,19H,3,7,9-13,17H2,1-2H3,(H,30,35)(H2,28,29,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-2,7-8H,3-6H2,(H2,15,16,18)/t19-;14-;/m10./s1
• InChIKey: CPWSDMQIMWBNIL-DHPMYSARSA-N
• XLogP: 9.91
• TPSA: 237.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.61
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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?

The IUPAC name of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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 (CID 164967087) is (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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.

What is the SMILES notation for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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?

The canonical SMILES for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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 is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1nccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.

What is the InChIKey of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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?

The InChIKey is CPWSDMQIMWBNIL-DHPMYSARSA-N. The full InChI is InChI=1S/C27H33N7O2.C20H28BF3N2O3.C13H14ClN5O/c1-3-19-7-9-34(17-19)27(35)30-21-5-4-18(2)22(16-21)20-14-24(23-6-8-29-26(28)32-23)31-25(15-20)33-10-12-36-13-11-33;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;14-9-7-11(10-1-2-16-13(15)18-10)17-12(8-9)19-3-5-20-6-4-19/h4-6,8,14-16,19H,3,7,9-13,17H2,1-2H3,(H,30,35)(H2,28,29,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-2,7-8H,3-6H2,(H2,15,16,18)/t19-;14-;/m10./s1.

What are the key properties of (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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?

(3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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 has a molecular weight of 1191.61 g/mol, XLogP of 9.91, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[3-[2-(2-aminopyrimidin-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrimidin-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 is sourced from PubChem (CID 164967087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).