5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide

C97H122Cl3F7N30O5 — CID 158753595

About 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide

5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide (PubChem CID 158753595) has the molecular formula C97H122Cl3F7N30O5 and a molecular weight of 2027.59 g/mol. Its IUPAC name is 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
• PubChem CID: 158753595
• Molecular Formula: C97H122Cl3F7N30O5
• Molecular Weight: 2027.59 g/mol
• Exact Mass: 2024.92
• IUPAC Name: 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
• SMILES: CNC(=O)C(C)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COCCN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COc1cc(Nc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)c(C)cc1C1CCN(C[C@H](O)C(F)(F)F)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C(N)=O)CC4)cc3F)ncc2C(F)(F)F)n[nH]1
• InChI: InChI=1S/C25H33ClN8O.C24H29ClF3N7O2.C24H32ClN7O.C24H28F4N8O/c1-14-11-21(29-25-28-13-20(26)23(31-25)30-22-12-16(3)32-33-22)15(2)10-19(14)18-6-8-34(9-7-18)17(4)24(35)27-5;1-13-8-16(15-4-6-35(7-5-15)12-20(36)24(26,27)28)19(37-3)10-18(13)30-23-29-11-17(25)22(32-23)31-21-9-14(2)33-34-21;1-15-12-21(16(2)11-19(15)18-5-7-32(8-6-18)9-10-33-4)27-24-26-14-20(25)23(29-24)28-22-13-17(3)30-31-22;1-12-8-19(18(25)10-16(12)15-4-6-36(7-5-15)14(3)21(29)37)31-23-30-11-17(24(26,27)28)22(33-23)32-20-9-13(2)34-35-20/h10-13,17-18H,6-9H2,1-5H3,(H,27,35)(H3,28,29,30,31,32,33);8-11,15,20,36H,4-7,12H2,1-3H3,(H3,29,30,31,32,33,34);11-14,18H,5-10H2,1-4H3,(H3,26,27,28,29,30,31);8-11,14-15H,4-7H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34,35)/t;20-;;/m.0../s1
• InChIKey: INTZURYAWNZJGB-AGIXTPCCSA-N
• XLogP: 19.25
• TPSA: 437.92 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.59
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The IUPAC name of 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide (CID 158753595) is 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide.

What is the SMILES notation for 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The canonical SMILES for 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide is CNC(=O)C(C)N1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COCCN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2C)CC1.COc1cc(Nc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)c(C)cc1C1CCN(C[C@H](O)C(F)(F)F)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C(N)=O)CC4)cc3F)ncc2C(F)(F)F)n[nH]1.

What is the InChIKey of 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The InChIKey is INTZURYAWNZJGB-AGIXTPCCSA-N. The full InChI is InChI=1S/C25H33ClN8O.C24H29ClF3N7O2.C24H32ClN7O.C24H28F4N8O/c1-14-11-21(29-25-28-13-20(26)23(31-25)30-22-12-16(3)32-33-22)15(2)10-19(14)18-6-8-34(9-7-18)17(4)24(35)27-5;1-13-8-16(15-4-6-35(7-5-15)12-20(36)24(26,27)28)19(37-3)10-18(13)30-23-29-11-17(25)22(32-23)31-21-9-14(2)33-34-21;1-15-12-21(16(2)11-19(15)18-5-7-32(8-6-18)9-10-33-4)27-24-26-14-20(25)23(29-24)28-22-13-17(3)30-31-22;1-12-8-19(18(25)10-16(12)15-4-6-36(7-5-15)14(3)21(29)37)31-23-30-11-17(24(26,27)28)22(33-23)32-20-9-13(2)34-35-20/h10-13,17-18H,6-9H2,1-5H3,(H,27,35)(H3,28,29,30,31,32,33);8-11,15,20,36H,4-7,12H2,1-3H3,(H3,29,30,31,32,33,34);11-14,18H,5-10H2,1-4H3,(H3,26,27,28,29,30,31);8-11,14-15H,4-7H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34,35)/t;20-;;/m.0../s1.

What are the key properties of 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide has a molecular weight of 2027.59 g/mol, XLogP of 19.25, 30 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 158753595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).