2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone

C115H140Cl6F4N38O3 — CID 160834875

IUPAC2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN(C)C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC5CC5(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCC(N)=O)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CNC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(C(=O)CN(C)C)CC4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C24H30Cl2N8O.C24H27ClF3N7.C24H30ClFN8O.C24H31ClN8O.C19H22ClN7/c1-14-9-17(16-5-7-34(8-6-16)22(35)13-33(3)4)18(25)11-20(14)28-24-27-12-19(26)23(30-24)29-21-10-15(2)31-32-21;1-13-7-20(30-23-29-11-18(25)22(32-23)31-21-8-14(2)33-34-21)19(26)9-17(13)15-3-5-35(6-4-15)12-16-10-24(16,27)28;1-14-9-20(28-24-27-12-18(25)23(30-24)29-21-10-15(2)31-32-21)19(26)11-17(14)16-5-7-34(8-6-16)22(35)13-33(3)4;1-14-11-20(15(2)10-18(14)17-4-7-33(8-5-17)9-6-21(26)34)28-24-27-13-19(25)23(30-24)29-22-12-16(3)31-32-22;1-10-5-16(11(2)4-14(10)13-7-21-8-13)23-19-22-9-15(20)18(25-19)24-17-6-12(3)26-27-17/h9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);7-9,11,15-16H,3-6,10,12H2,1-2H3,(H3,29,30,31,32,33,34);9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);10-13,17H,4-9H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31,32);4-6,9,13,21H,7-8H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeySHGXNUHSCZQCFG-UHFFFAOYSA-N
MW2391.36 g/mol
LogP23.45
Rot. Bonds34

About 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone

2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 160834875) has the molecular formula C115H140Cl6F4N38O3 and a molecular weight of 2391.36 g/mol. Its IUPAC name is 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID160834875
Molecular FormulaC115H140Cl6F4N38O3
Molecular Weight2391.36 g/mol
Exact Mass2387.00
IUPAC Name2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN(C)C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC5CC5(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCC(N)=O)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CNC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(C(=O)CN(C)C)CC4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C24H30Cl2N8O.C24H27ClF3N7.C24H30ClFN8O.C24H31ClN8O.C19H22ClN7/c1-14-9-17(16-5-7-34(8-6-16)22(35)13-33(3)4)18(25)11-20(14)28-24-27-12-19(26)23(30-24)29-21-10-15(2)31-32-21;1-13-7-20(30-23-29-11-18(25)22(32-23)31-21-8-14(2)33-34-21)19(26)9-17(13)15-3-5-35(6-4-15)12-16-10-24(16,27)28;1-14-9-20(28-24-27-12-18(25)23(30-24)29-21-10-15(2)31-32-21)19(26)11-17(14)16-5-7-34(8-6-16)22(35)13-33(3)4;1-14-11-20(15(2)10-18(14)17-4-7-33(8-5-17)9-6-21(26)34)28-24-27-13-19(25)23(30-24)29-22-12-16(3)31-32-22;1-10-5-16(11(2)4-14(10)13-7-21-8-13)23-19-22-9-15(20)18(25-19)24-17-6-12(3)26-27-17/h9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);7-9,11,15-16H,3-6,10,12H2,1-2H3,(H3,29,30,31,32,33,34);9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);10-13,17H,4-9H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31,32);4-6,9,13,21H,7-8H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeySHGXNUHSCZQCFG-UHFFFAOYSA-N
XLogP23.45
TPSA501.30 Ų
H-Bond Donors17
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.36
LogP ≤ 523.45
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1033

Analyze 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone 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
CID 157956196
CID 157956196
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
(3S)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;(3R)-3-[[5-chloro-2-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]azepan-2-one;5-chloro-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one
CID 158284748
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
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 160834875) is 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone is Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN(C)C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC5CC5(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCC(N)=O)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CNC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(C(=O)CN(C)C)CC4)cc3C)ncc2Cl)n[nH]1.
What is the InChIKey of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is SHGXNUHSCZQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N8O.C24H27ClF3N7.C24H30ClFN8O.C24H31ClN8O.C19H22ClN7/c1-14-9-17(16-5-7-34(8-6-16)22(35)13-33(3)4)18(25)11-20(14)28-24-27-12-19(26)23(30-24)29-21-10-15(2)31-32-21;1-13-7-20(30-23-29-11-18(25)22(32-23)31-21-8-14(2)33-34-21)19(26)9-17(13)15-3-5-35(6-4-15)12-16-10-24(16,27)28;1-14-9-20(28-24-27-12-18(25)23(30-24)29-21-10-15(2)31-32-21)19(26)11-17(14)16-5-7-34(8-6-16)22(35)13-33(3)4;1-14-11-20(15(2)10-18(14)17-4-7-33(8-5-17)9-6-21(26)34)28-24-27-13-19(25)23(30-24)29-22-12-16(3)31-32-22;1-10-5-16(11(2)4-14(10)13-7-21-8-13)23-19-22-9-15(20)18(25-19)24-17-6-12(3)26-27-17/h9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);7-9,11,15-16H,3-6,10,12H2,1-2H3,(H3,29,30,31,32,33,34);9-12,16H,5-8,13H2,1-4H3,(H3,27,28,29,30,31,32);10-13,17H,4-9H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31,32);4-6,9,13,21H,7-8H2,1-3H3,(H3,22,23,24,25,26,27).
What are the key properties of 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone?
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 2391.36 g/mol, XLogP of 23.45, 34 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 160834875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).