3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine

C137H147BF5N23O15S — CID 157203478

About 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine

3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine (PubChem CID 157203478) has the molecular formula C137H147BF5N23O15S and a molecular weight of 2493.70 g/mol. Its IUPAC name is 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

• Compound Name: 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine
• PubChem CID: 157203478
• Molecular Formula: C137H147BF5N23O15S
• Molecular Weight: 2493.70 g/mol
• Exact Mass: 2492.12
• IUPAC Name: 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine
• SMILES: CC1(C)OB(c2cnc(F)c(-c3ncccn3)c2)OC1(C)C.CC1(C)OC(=O)N(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3cnc(F)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3cnc(N)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1
• InChI: InChI=1S/C26H25FN4O2.2C26H29N5O2.C26H27N5O2.C18H20F3NO5S.C15H17BFN3O2/c4*1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24;1-17(2)15(12-6-4-3-5-7-12)22(16(23)26-17)13-8-10-14(11-9-13)27-28(24,25)18(19,20)21;1-14(2)15(3,4)22-16(21-14)10-8-11(12(17)20-9-10)13-18-6-5-7-19-13/h3-9,13-16,20,22H,10-12H2,1-2H3;2*3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30);3-9,13-16,20,22H,10-12H2,1-2H3,(H2,27,30);3-7,10,13,15H,8-9,11H2,1-2H3;5-9H,1-4H3/t;2*17?,20?,22-;;;/m.00.../s1
• InChIKey: ARBNWGQKOGWQGE-QQJYPZFPSA-N
• XLogP: 27.09
• TPSA: 480.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2493.70
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine?

The IUPAC name of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine (CID 157203478) is 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine.

What is the SMILES notation for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine?

The canonical SMILES for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine is CC1(C)OB(c2cnc(F)c(-c3ncccn3)c2)OC1(C)C.CC1(C)OC(=O)N(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3cnc(F)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3cnc(N)c(-c4ncccn4)c3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1.

What is the InChIKey of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine?

The InChIKey is ARBNWGQKOGWQGE-QQJYPZFPSA-N. The full InChI is InChI=1S/C26H25FN4O2.2C26H29N5O2.C26H27N5O2.C18H20F3NO5S.C15H17BFN3O2/c4*1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24;1-17(2)15(12-6-4-3-5-7-12)22(16(23)26-17)13-8-10-14(11-9-13)27-28(24,25)18(19,20)21;1-14(2)15(3,4)22-16(21-14)10-8-11(12(17)20-9-10)13-18-6-5-7-19-13/h3-9,13-16,20,22H,10-12H2,1-2H3;2*3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30);3-9,13-16,20,22H,10-12H2,1-2H3,(H2,27,30);3-7,10,13,15H,8-9,11H2,1-2H3;5-9H,1-4H3/t;2*17?,20?,22-;;;/m.00.../s1.

What are the key properties of 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine?

3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine has a molecular weight of 2493.70 g/mol, XLogP of 27.09, 22 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;bis((4S)-3-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one);[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 157203478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).