5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C122H148Cl4F5N31O2 — CID 158810138

About 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 158810138) has the molecular formula C122H148Cl4F5N31O2 and a molecular weight of 2317.54 g/mol. Its IUPAC name is 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 158810138
• Molecular Formula: C122H148Cl4F5N31O2
• Molecular Weight: 2317.54 g/mol
• Exact Mass: 2314.11
• IUPAC Name: 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: CNC1(C(=O)N2CCC(c3cc(F)c(Cc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CCC1.Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C3CC3)n[nH]2)n1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C4CC4)n[nH]3)n2)c(F)cc1C1CCNCC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C[C@H](O)C(F)(F)F)CC4)cc3C)ncc2C)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C27H33ClFN7O.C25H30ClN5.C25H32F3N7O.C24H27ClFN5.C21H26ClN7/c1-16-11-19(13-23-31-15-21(28)25(32-23)33-24-12-17(2)34-35-24)22(29)14-20(16)18-5-9-36(10-6-18)26(37)27(30-3)7-4-8-27;1-15-10-21(17-5-7-27-8-6-17)16(2)9-19(15)11-25-28-14-22(26)24(29-25)13-20-12-23(31-30-20)18-3-4-18;1-14-10-20(30-24-29-12-16(3)23(32-24)31-22-11-17(4)33-34-22)15(2)9-19(14)18-5-7-35(8-6-18)13-21(36)25(26,27)28;1-14-8-17(21(26)12-19(14)15-4-6-27-7-5-15)9-24-28-13-20(25)23(29-24)11-18-10-22(31-30-18)16-2-3-16;1-12-9-18(13(2)8-16(12)15-4-6-23-7-5-15)25-21-24-11-17(22)20(27-21)26-19-10-14(3)28-29-19/h11-12,14-15,18,30H,4-10,13H2,1-3H3,(H2,31,32,33,34,35);9-10,12,14,17-18,27H,3-8,11,13H2,1-2H3,(H,30,31);9-12,18,21,36H,5-8,13H2,1-4H3,(H3,29,30,31,32,33,34);8,10,12-13,15-16,27H,2-7,9,11H2,1H3,(H,30,31);8-11,15,23H,4-7H2,1-3H3,(H3,24,25,26,27,28,29)/t;;21-;;/m..0../s1
• InChIKey: IUOPVIZWYIIMKH-OMDLMCHHSA-N
• XLogP: 24.37
• TPSA: 424.35 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.54
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 158810138) is 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CNC1(C(=O)N2CCC(c3cc(F)c(Cc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CCC1.Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C3CC3)n[nH]2)n1.Cc1cc(Cc2ncc(Cl)c(Cc3cc(C4CC4)n[nH]3)n2)c(F)cc1C1CCNCC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C[C@H](O)C(F)(F)F)CC4)cc3C)ncc2C)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is IUOPVIZWYIIMKH-OMDLMCHHSA-N. The full InChI is InChI=1S/C27H33ClFN7O.C25H30ClN5.C25H32F3N7O.C24H27ClFN5.C21H26ClN7/c1-16-11-19(13-23-31-15-21(28)25(32-23)33-24-12-17(2)34-35-24)22(29)14-20(16)18-5-9-36(10-6-18)26(37)27(30-3)7-4-8-27;1-15-10-21(17-5-7-27-8-6-17)16(2)9-19(15)11-25-28-14-22(26)24(29-25)13-20-12-23(31-30-20)18-3-4-18;1-14-10-20(30-24-29-12-16(3)23(32-24)31-22-11-17(4)33-34-22)15(2)9-19(14)18-5-7-35(8-6-18)13-21(36)25(26,27)28;1-14-8-17(21(26)12-19(14)15-4-6-27-7-5-15)9-24-28-13-20(25)23(29-24)11-18-10-22(31-30-18)16-2-3-16;1-12-9-18(13(2)8-16(12)15-4-6-23-7-5-15)25-21-24-11-17(22)20(27-21)26-19-10-14(3)28-29-19/h11-12,14-15,18,30H,4-10,13H2,1-3H3,(H2,31,32,33,34,35);9-10,12,14,17-18,27H,3-8,11,13H2,1-2H3,(H,30,31);9-12,18,21,36H,5-8,13H2,1-4H3,(H3,29,30,31,32,33,34);8,10,12-13,15-16,27H,2-7,9,11H2,1H3,(H,30,31);8-11,15,23H,4-7H2,1-3H3,(H3,24,25,26,27,28,29)/t;;21-;;/m..0../s1.

What are the key properties of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?

5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 2317.54 g/mol, XLogP of 24.37, 31 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 158810138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).