(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C100H121Cl4F7N28O2 — CID 158469080

About (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 158469080) has the molecular formula C100H121Cl4F7N28O2 and a molecular weight of 2022.06 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
• PubChem CID: 158469080
• Molecular Formula: C100H121Cl4F7N28O2
• Molecular Weight: 2022.06 g/mol
• Exact Mass: 2018.89
• IUPAC Name: (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
• SMILES: Cc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Cc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCC(F)(F)F)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCN(C(=O)C5(N)CC5)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1
• InChI: InChI=1S/C28H36ClN7O.C25H30ClF3N6.C25H31ClN8O.C22H24ClF4N7/c1-17-12-22(19-7-9-36(10-8-19)27(37)16-35(3)4)18(2)11-21(17)13-25-30-15-23(29)28(31-25)32-26-14-24(33-34-26)20-5-6-20;1-15-11-20(18-4-7-35(8-5-18)9-6-25(27,28)29)16(2)10-19(15)13-22-30-14-21(26)24(31-22)32-23-12-17(3)33-34-23;1-14-10-20(29-24-28-12-19(26)22(31-24)30-21-11-16(3)32-33-21)15(2)9-18(14)17-5-4-8-34(13-17)23(35)25(27)6-7-25;1-12-7-18(17(24)9-15(12)14-3-5-34(6-4-14)11-22(25,26)27)29-21-28-10-16(23)20(31-21)30-19-8-13(2)32-33-19/h11-12,14-15,19-20H,5-10,13,16H2,1-4H3,(H2,30,31,32,33,34);10-12,14,18H,4-9,13H2,1-3H3,(H2,30,31,32,33,34);9-12,17H,4-8,13,27H2,1-3H3,(H3,28,29,30,31,32,33);7-10,14H,3-6,11H2,1-2H3,(H3,28,29,30,31,32,33)
• InChIKey: HGCWFNHAMMJPIQ-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 366.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.06
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?

The IUPAC name of (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 158469080) is (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?

The canonical SMILES for (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Cc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1.Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(CCC(F)(F)F)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCN(C(=O)C5(N)CC5)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.

What is the InChIKey of (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?

The InChIKey is HGCWFNHAMMJPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN7O.C25H30ClF3N6.C25H31ClN8O.C22H24ClF4N7/c1-17-12-22(19-7-9-36(10-8-19)27(37)16-35(3)4)18(2)11-21(17)13-25-30-15-23(29)28(31-25)32-26-14-24(33-34-26)20-5-6-20;1-15-11-20(18-4-7-35(8-5-18)9-6-25(27,28)29)16(2)10-19(15)13-22-30-14-21(26)24(31-22)32-23-12-17(3)33-34-23;1-14-10-20(29-24-28-12-19(26)22(31-24)30-21-11-16(3)32-33-21)15(2)9-18(14)17-5-4-8-34(13-17)23(35)25(27)6-7-25;1-12-7-18(17(24)9-15(12)14-3-5-34(6-4-14)11-22(25,26)27)29-21-28-10-16(23)20(31-21)30-19-8-13(2)32-33-19/h11-12,14-15,19-20H,5-10,13,16H2,1-4H3,(H2,30,31,32,33,34);10-12,14,18H,4-9,13H2,1-3H3,(H2,30,31,32,33,34);9-12,17H,4-8,13,27H2,1-3H3,(H3,28,29,30,31,32,33);7-10,14H,3-6,11H2,1-2H3,(H3,28,29,30,31,32,33).

What are the key properties of (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?

(1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 2022.06 g/mol, XLogP of 21.49, 27 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclopropyl)-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]methanone;1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-[[2,5-dimethyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158469080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).