2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone

C97H120Cl4F4N30O3 — CID 159195191

About 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone

2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone (PubChem CID 159195191) has the molecular formula C97H120Cl4F4N30O3 and a molecular weight of 1972.04 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone.

Molecular Properties

• Compound Name: 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone
• PubChem CID: 159195191
• Molecular Formula: C97H120Cl4F4N30O3
• Molecular Weight: 1972.04 g/mol
• Exact Mass: 1968.88
• IUPAC Name: 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone
• SMILES: CNC1(C(=O)N2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C(C)(C)N)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCOCC5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C26H33ClN8O.C26H34ClN7O.C25H33ClN8O.C20H20ClF4N7/c1-15-12-21(30-25-29-14-20(27)23(32-25)31-22-13-17(3)33-34-22)16(2)11-19(15)18-5-9-35(10-6-18)24(36)26(28-4)7-8-26;1-16-13-23(29-26-28-15-22(27)25(31-26)30-24-14-18(3)32-33-24)17(2)12-21(16)19-4-8-34(9-5-19)20-6-10-35-11-7-20;1-14-11-20(29-24-28-13-19(26)22(31-24)30-21-12-16(3)32-33-21)15(2)10-18(14)17-6-8-34(9-7-17)23(35)25(4,5)27;1-10-6-17(32-31-10)29-18-14(21)9-27-19(30-18)28-16-8-13(20(23,24)25)12(7-15(16)22)11-2-4-26-5-3-11/h11-14,18,28H,5-10H2,1-4H3,(H3,29,30,31,32,33,34);12-15,19-20H,4-11H2,1-3H3,(H3,28,29,30,31,32,33);10-13,17H,6-9,27H2,1-5H3,(H3,28,29,30,31,32,33);6-9,11,26H,2-5H2,1H3,(H3,27,28,29,30,31,32)
• InChIKey: KOONSDIELYRZHK-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 417.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.04
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The IUPAC name of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone (CID 159195191) is 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone.

What is the SMILES notation for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The canonical SMILES for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone is CNC1(C(=O)N2CCC(c3cc(C)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)CC1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C(C)(C)N)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCOCC5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

The InChIKey is KOONSDIELYRZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN8O.C26H34ClN7O.C25H33ClN8O.C20H20ClF4N7/c1-15-12-21(30-25-29-14-20(27)23(32-25)31-22-13-17(3)33-34-22)16(2)11-19(15)18-5-9-35(10-6-18)24(36)26(28-4)7-8-26;1-16-13-23(29-26-28-15-22(27)25(31-26)30-24-14-18(3)32-33-24)17(2)12-21(16)19-4-8-34(9-5-19)20-6-10-35-11-7-20;1-14-11-20(29-24-28-13-19(26)22(31-24)30-21-12-16(3)32-33-21)15(2)10-18(14)17-6-8-34(9-7-17)23(35)25(4,5)27;1-10-6-17(32-31-10)29-18-14(21)9-27-19(30-18)28-16-8-13(20(23,24)25)12(7-15(16)22)11-2-4-26-5-3-11/h11-14,18,28H,5-10H2,1-4H3,(H3,29,30,31,32,33,34);12-15,19-20H,4-11H2,1-3H3,(H3,28,29,30,31,32,33);10-13,17H,6-9,27H2,1-5H3,(H3,28,29,30,31,32,33);6-9,11,26H,2-5H2,1H3,(H3,27,28,29,30,31,32).

What are the key properties of 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone?

2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone has a molecular weight of 1972.04 g/mol, XLogP of 20.33, 24 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-methylpropan-1-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-piperidin-4-yl-5-(trifluoromethyl)phenyl]-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]amino]-2,5-dimethylphenyl]piperidin-1-yl]-[1-(methylamino)cyclopropyl]methanone is sourced from PubChem (CID 159195191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).