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

C104H115Cl5F8N34O4 — CID 159286214

IUPAC5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one
SMILESCc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(N4CCN(C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(N4CCOCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCOC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(N4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C23H26ClF3N6.C21H24ClN7O.C21H23ClN6O2.C20H24ClFN8.C19H18ClF4N7O/c1-14-8-21(33-6-4-32(3)5-7-33)18(23(25,26)27)10-16(14)11-22-28-13-19(24)20(29-22)12-17-9-15(2)30-31-17;1-11-7-17(12(2)6-15(11)14-4-5-23-19(30)9-14)25-21-24-10-16(22)20(27-21)26-18-8-13(3)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30-19(29)9-14)24-21-23-10-16(22)20(26-21)25-18-8-13(3)27-28-18;1-12-8-16(15(22)10-17(12)30-6-4-29(3)5-7-30)24-20-23-11-14(21)19(26-20)25-18-9-13(2)27-28-18;1-10-6-16(30-29-10)27-17-12(20)9-25-18(28-17)26-14-7-11(19(22,23)24)15(8-13(14)21)31-2-4-32-5-3-31/h8-10,13H,4-7,11-12H2,1-3H3,(H,30,31);6-8,10,14H,4-5,9H2,1-3H3,(H,23,30)(H3,24,25,26,27,28,29);6-8,10,14H,4-5,9H2,1-3H3,(H3,23,24,25,26,27,28);8-11H,4-7H2,1-3H3,(H3,23,24,25,26,27,28);6-9H,2-5H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyKZNSRRYMVYNXFM-UHFFFAOYSA-N
MW2234.55 g/mol
LogP21.86
Rot. Bonds25

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

5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one (PubChem CID 159286214) has the molecular formula C104H115Cl5F8N34O4 and a molecular weight of 2234.55 g/mol. Its IUPAC name is 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one.

Molecular Properties

Compound Name5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one
PubChem CID159286214
Molecular FormulaC104H115Cl5F8N34O4
Molecular Weight2234.55 g/mol
Exact Mass2230.82
IUPAC Name5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one
SMILESCc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(N4CCN(C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(N4CCOCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCOC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(N4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C23H26ClF3N6.C21H24ClN7O.C21H23ClN6O2.C20H24ClFN8.C19H18ClF4N7O/c1-14-8-21(33-6-4-32(3)5-7-33)18(23(25,26)27)10-16(14)11-22-28-13-19(24)20(29-22)12-17-9-15(2)30-31-17;1-11-7-17(12(2)6-15(11)14-4-5-23-19(30)9-14)25-21-24-10-16(22)20(27-21)26-18-8-13(3)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30-19(29)9-14)24-21-23-10-16(22)20(26-21)25-18-8-13(3)27-28-18;1-12-8-16(15(22)10-17(12)30-6-4-29(3)5-7-30)24-20-23-11-14(21)19(26-20)25-18-9-13(2)27-28-18;1-10-6-16(30-29-10)27-17-12(20)9-25-18(28-17)26-14-7-11(19(22,23)24)15(8-13(14)21)31-2-4-32-5-3-31/h8-10,13H,4-7,11-12H2,1-3H3,(H,30,31);6-8,10,14H,4-5,9H2,1-3H3,(H,23,30)(H3,24,25,26,27,28,29);6-8,10,14H,4-5,9H2,1-3H3,(H3,23,24,25,26,27,28);8-11H,4-7H2,1-3H3,(H3,23,24,25,26,27,28);6-9H,2-5H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyKZNSRRYMVYNXFM-UHFFFAOYSA-N
XLogP21.86
TPSA449.37 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.55
LogP ≤ 521.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-methylphenyl]-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]-N,N-dimethylpiperidine-1-carboxamide;(2R)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 157188520
5-chloro-2-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2,5-dimethyl-4-[(2S)-1-methylpiperidin-2-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]-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]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
CID 157393225
2-(azetidin-1-yl)-1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-methylphenyl]piperidin-1-yl]ethanone;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-methylphenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;5-chloro-2-N-[4-(1-cyclopropylpiperidin-4-yl)-2,5-dimethylphenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158251099
tert-butyl N-[5-chloro-2-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylanilino]pyrimidin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)carbamate;tert-butyl N-[2-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylanilino]-5-fluoropyrimidin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)carbamate;bis(tert-butyl 3-[[2-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylanilino]-5-methylpyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methylpyrazole-1-carboxylate);tert-butyl N-[2-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylanilino]pyrimidin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)carbamate;tert-butyl 3-[[2-[5-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-2-methylphenyl]-5-methylpyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methylpyrazole-1-carboxylate
CID 158262522
2-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]acetamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]acetamide;1-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]butan-2-one
CID 158412905
(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
2-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]acetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]acetamide;1-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]butan-2-one
CID 158614024
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-N-[2,5-difluoro-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
CID 158661266
(1-aminocyclopropyl)-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]methanone;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]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158706128
tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]methanone
CID 158789582
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
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one?
The IUPAC name of 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one (CID 159286214) is 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one.
What is the SMILES notation for 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one?
The canonical SMILES for 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one is Cc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(N4CCN(C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(N4CCOCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCOC(=O)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(N4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one?
The InChIKey is KZNSRRYMVYNXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N6.C21H24ClN7O.C21H23ClN6O2.C20H24ClFN8.C19H18ClF4N7O/c1-14-8-21(33-6-4-32(3)5-7-33)18(23(25,26)27)10-16(14)11-22-28-13-19(24)20(29-22)12-17-9-15(2)30-31-17;1-11-7-17(12(2)6-15(11)14-4-5-23-19(30)9-14)25-21-24-10-16(22)20(27-21)26-18-8-13(3)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30-19(29)9-14)24-21-23-10-16(22)20(26-21)25-18-8-13(3)27-28-18;1-12-8-16(15(22)10-17(12)30-6-4-29(3)5-7-30)24-20-23-11-14(21)19(26-20)25-18-9-13(2)27-28-18;1-10-6-16(30-29-10)27-17-12(20)9-25-18(28-17)26-14-7-11(19(22,23)24)15(8-13(14)21)31-2-4-32-5-3-31/h8-10,13H,4-7,11-12H2,1-3H3,(H,30,31);6-8,10,14H,4-5,9H2,1-3H3,(H,23,30)(H3,24,25,26,27,28,29);6-8,10,14H,4-5,9H2,1-3H3,(H3,23,24,25,26,27,28);8-11H,4-7H2,1-3H3,(H3,23,24,25,26,27,28);6-9H,2-5H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one?
5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one has a molecular weight of 2234.55 g/mol, XLogP of 21.86, 25 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-methyl-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]oxan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-2-one is sourced from PubChem (CID 159286214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).