5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide

C118H146Cl5F5N34OS — CID 159534073

About 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide

5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide (PubChem CID 159534073) has the molecular formula C118H146Cl5F5N34OS and a molecular weight of 2361.02 g/mol. Its IUPAC name is 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
• PubChem CID: 159534073
• Molecular Formula: C118H146Cl5F5N34OS
• Molecular Weight: 2361.02 g/mol
• Exact Mass: 2357.05
• IUPAC Name: 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
• SMILES: Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCN(CC(N)=O)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCSCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C4CCN(C(C)C)CC4)c(F)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C26H34ClN7S.C24H25ClF4N6O.C24H32ClN7.C23H29ClFN7.C21H26ClN7/c1-16-13-23(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;1-13-6-15(19(26)10-17(13)14-2-4-35(5-3-14)12-22(30)36)7-23-31-11-18(25)20(32-23)8-16-9-21(34-33-16)24(27,28)29;1-14(2)32-8-6-18(7-9-32)19-10-16(4)21(11-15(19)3)27-24-26-13-20(25)23(29-24)28-22-12-17(5)30-31-22;1-13(2)32-7-5-16(6-8-32)17-11-20(14(3)9-19(17)25)27-23-26-12-18(24)22(29-23)28-21-10-15(4)30-31-21;1-12-9-18(13(2)8-15(12)17-6-4-5-7-23-17)25-21-24-11-16(22)20(27-21)26-19-10-14(3)28-29-19/h12-15,19-20H,4-11H2,1-3H3,(H3,28,29,30,31,32,33);6,9-11,14H,2-5,7-8,12H2,1H3,(H2,30,36)(H,33,34);10-14,18H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);9-13,16H,5-8H2,1-4H3,(H3,26,27,28,29,30,31);8-11,17,23H,4-7H2,1-3H3,(H3,24,25,26,27,28,29)
• InChIKey: MDJCAGSDWBSNLA-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 436.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2361.02
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The IUPAC name of 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide (CID 159534073) is 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide.

What is the SMILES notation for 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The canonical SMILES for 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide is Cc1cc(Cc2ncc(Cl)c(Cc3cc(C(F)(F)F)n[nH]3)n2)c(F)cc1C1CCN(CC(N)=O)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCSCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C4CCN(C(C)C)CC4)c(F)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

The InChIKey is MDJCAGSDWBSNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN7S.C24H25ClF4N6O.C24H32ClN7.C23H29ClFN7.C21H26ClN7/c1-16-13-23(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;1-13-6-15(19(26)10-17(13)14-2-4-35(5-3-14)12-22(30)36)7-23-31-11-18(25)20(32-23)8-16-9-21(34-33-16)24(27,28)29;1-14(2)32-8-6-18(7-9-32)19-10-16(4)21(11-15(19)3)27-24-26-13-20(25)23(29-24)28-22-12-17(5)30-31-22;1-13(2)32-7-5-16(6-8-32)17-11-20(14(3)9-19(17)25)27-23-26-12-18(24)22(29-23)28-21-10-15(4)30-31-21;1-12-9-18(13(2)8-15(12)17-6-4-5-7-23-17)25-21-24-11-16(22)20(27-21)26-19-10-14(3)28-29-19/h12-15,19-20H,4-11H2,1-3H3,(H3,28,29,30,31,32,33);6,9-11,14H,2-5,7-8,12H2,1H3,(H2,30,36)(H,33,34);10-14,18H,6-9H2,1-5H3,(H3,26,27,28,29,30,31);9-13,16H,5-8H2,1-4H3,(H3,26,27,28,29,30,31);8-11,17,23H,4-7H2,1-3H3,(H3,24,25,26,27,28,29).

What are the key properties of 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide?

5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide has a molecular weight of 2361.02 g/mol, XLogP of 27.12, 30 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 159534073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).