1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine

C134H124ClF15N22O12S2 — CID 159764924

About 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine

1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine (PubChem CID 159764924) has the molecular formula C134H124ClF15N22O12S2 and a molecular weight of 2619.16 g/mol. Its IUPAC name is 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
• PubChem CID: 159764924
• Molecular Formula: C134H124ClF15N22O12S2
• Molecular Weight: 2619.16 g/mol
• Exact Mass: 2616.87
• IUPAC Name: 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
• SMILES: COC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Cc2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1.Nc1ccc(N2CCCCC2)cc1C(=O)Cc1cnc(-c2cccc(C(F)(F)F)c2)nc1.Nc1cnc(-c2cccc(C(F)(F)F)c2)nc1.Nc1cnc(Cl)nc1.O=C(Cc1cnc(-c2cccc(C(F)(F)F)c2)nc1)c1cc(N2CCCCC2)ccc1[N+](=O)[O-].O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Cc2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1
• InChI: InChI=1S/C36H35F3N4O4S.C35H33F3N4O4S.C24H21F3N4O3.C24H23F3N4O.C11H8F3N3.C4H4ClN3/c1-47-33(45)13-16-48-23-24-7-5-9-27(17-24)35(46)42-31-12-11-29(43-14-3-2-4-15-43)20-30(31)32(44)18-25-21-40-34(41-22-25)26-8-6-10-28(19-26)36(37,38)39;36-35(37,38)27-9-5-7-25(18-27)33-39-20-24(21-40-33)17-31(43)29-19-28(42-13-2-1-3-14-42)10-11-30(29)41-34(46)26-8-4-6-23(16-26)22-47-15-12-32(44)45;25-24(26,27)18-6-4-5-17(12-18)23-28-14-16(15-29-23)11-22(32)20-13-19(7-8-21(20)31(33)34)30-9-2-1-3-10-30;25-24(26,27)18-6-4-5-17(12-18)23-29-14-16(15-30-23)11-22(32)20-13-19(7-8-21(20)28)31-9-2-1-3-10-31;12-11(13,14)8-3-1-2-7(4-8)10-16-5-9(15)6-17-10;5-4-7-1-3(6)2-8-4/h5-12,17,19-22H,2-4,13-16,18,23H2,1H3,(H,42,46);4-11,16,18-21H,1-3,12-15,17,22H2,(H,41,46)(H,44,45);4-8,12-15H,1-3,9-11H2;4-8,12-15H,1-3,9-11,28H2;1-6H,15H2;1-2H,6H2
• InChIKey: NFJJQBACKGRLDM-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 478.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2619.16
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?

The IUPAC name of 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine (CID 159764924) is 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine.

What is the SMILES notation for 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?

The canonical SMILES for 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine is COC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Cc2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1.Nc1ccc(N2CCCCC2)cc1C(=O)Cc1cnc(-c2cccc(C(F)(F)F)c2)nc1.Nc1cnc(-c2cccc(C(F)(F)F)c2)nc1.Nc1cnc(Cl)nc1.O=C(Cc1cnc(-c2cccc(C(F)(F)F)c2)nc1)c1cc(N2CCCCC2)ccc1[N+](=O)[O-].O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Cc2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1.

What is the InChIKey of 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?

The InChIKey is NFJJQBACKGRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N4O4S.C35H33F3N4O4S.C24H21F3N4O3.C24H23F3N4O.C11H8F3N3.C4H4ClN3/c1-47-33(45)13-16-48-23-24-7-5-9-27(17-24)35(46)42-31-12-11-29(43-14-3-2-4-15-43)20-30(31)32(44)18-25-21-40-34(41-22-25)26-8-6-10-28(19-26)36(37,38)39;36-35(37,38)27-9-5-7-25(18-27)33-39-20-24(21-40-33)17-31(43)29-19-28(42-13-2-1-3-14-42)10-11-30(29)41-34(46)26-8-4-6-23(16-26)22-47-15-12-32(44)45;25-24(26,27)18-6-4-5-17(12-18)23-28-14-16(15-29-23)11-22(32)20-13-19(7-8-21(20)31(33)34)30-9-2-1-3-10-30;25-24(26,27)18-6-4-5-17(12-18)23-29-14-16(15-30-23)11-22(32)20-13-19(7-8-21(20)28)31-9-2-1-3-10-31;12-11(13,14)8-3-1-2-7(4-8)10-16-5-9(15)6-17-10;5-4-7-1-3(6)2-8-4/h5-12,17,19-22H,2-4,13-16,18,23H2,1H3,(H,42,46);4-11,16,18-21H,1-3,12-15,17,22H2,(H,41,46)(H,44,45);4-8,12-15H,1-3,9-11H2;4-8,12-15H,1-3,9-11,28H2;1-6H,15H2;1-2H,6H2.

What are the key properties of 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine?

1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine has a molecular weight of 2619.16 g/mol, XLogP of 29.27, 36 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;2-chloropyrimidin-5-amine;methyl 3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;1-(2-nitro-5-piperidin-1-ylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone;3-[[3-[[4-piperidin-1-yl-2-[2-[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid;2-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 159764924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).