N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine

C145H171F7N30O4S3 — CID 158761650

IUPACN-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CNCC[C@H]1NCc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Fc1cccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)c1.c1cc(CN2CCNCC2)cc(-c2ccnc(NCCc3cccs3)n2)c1
InChIInChI=1S/C26H31F2N5.C25H29F2N5O2S.C25H30FN5O2S.C25H30FN5.C23H26FN5.C21H25N5S/c1-17-4-5-21(16-33-15-18(2)31-14-19(33)3)12-24(17)25-7-9-30-26(32-25)29-8-6-20-10-22(27)13-23(28)11-20;1-35(33,34)32(17-23-6-3-9-28-23)16-19-4-2-5-20(12-19)24-8-11-30-25(31-24)29-10-7-18-13-21(26)15-22(27)14-18;1-34(32,33)31(18-23-9-4-12-27-23)17-20-6-2-7-21(15-20)24-11-14-29-25(30-24)28-13-10-19-5-3-8-22(26)16-19;1-18-16-27-11-9-23(18)30-17-20-5-2-6-21(14-20)24-10-13-29-25(31-24)28-12-8-19-4-3-7-22(26)15-19;24-21-6-2-3-18(16-21)7-9-26-23-27-10-8-22(28-23)20-5-1-4-19(15-20)17-29-13-11-25-12-14-29;1-3-17(16-26-12-10-22-11-13-26)15-18(4-1)20-7-9-24-21(25-20)23-8-6-19-5-2-14-27-19/h4-5,7,9-13,18-19,31H,6,8,14-16H2,1-3H3,(H,29,30,32);2,4-5,8,11-15,23,28H,3,6-7,9-10,16-17H2,1H3,(H,29,30,31);2-3,5-8,11,14-16,23,27H,4,9-10,12-13,17-18H2,1H3,(H,28,29,30);2-7,10,13-15,18,23,27,30H,8-9,11-12,16-17H2,1H3,(H,28,29,31);1-6,8,10,15-16,25H,7,9,11-14,17H2,(H,26,27,28);1-5,7,9,14-15,22H,6,8,10-13,16H2,(H,23,24,25)/t18-,19-;2*23-;18-,23-;;/m0001../s1
InChIKeyIOTCPTQVIFUFRO-OIZBYGFVSA-N
MW2627.36 g/mol
LogP22.24
Rot. Bonds49

About N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine

N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine (PubChem CID 158761650) has the molecular formula C145H171F7N30O4S3 and a molecular weight of 2627.36 g/mol. Its IUPAC name is N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
PubChem CID158761650
Molecular FormulaC145H171F7N30O4S3
Molecular Weight2627.36 g/mol
Exact Mass2625.31
IUPAC NameN-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CNCC[C@H]1NCc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Fc1cccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)c1.c1cc(CN2CCNCC2)cc(-c2ccnc(NCCc3cccs3)n2)c1
InChIInChI=1S/C26H31F2N5.C25H29F2N5O2S.C25H30FN5O2S.C25H30FN5.C23H26FN5.C21H25N5S/c1-17-4-5-21(16-33-15-18(2)31-14-19(33)3)12-24(17)25-7-9-30-26(32-25)29-8-6-20-10-22(27)13-23(28)11-20;1-35(33,34)32(17-23-6-3-9-28-23)16-19-4-2-5-20(12-19)24-8-11-30-25(31-24)29-10-7-18-13-21(26)15-22(27)14-18;1-34(32,33)31(18-23-9-4-12-27-23)17-20-6-2-7-21(15-20)24-11-14-29-25(30-24)28-13-10-19-5-3-8-22(26)16-19;1-18-16-27-11-9-23(18)30-17-20-5-2-6-21(14-20)24-10-13-29-25(31-24)28-12-8-19-4-3-7-22(26)15-19;24-21-6-2-3-18(16-21)7-9-26-23-27-10-8-22(28-23)20-5-1-4-19(15-20)17-29-13-11-25-12-14-29;1-3-17(16-26-12-10-22-11-13-26)15-18(4-1)20-7-9-24-21(25-20)23-8-6-19-5-2-14-27-19/h4-5,7,9-13,18-19,31H,6,8,14-16H2,1-3H3,(H,29,30,32);2,4-5,8,11-15,23,28H,3,6-7,9-10,16-17H2,1H3,(H,29,30,31);2-3,5-8,11,14-16,23,27H,4,9-10,12-13,17-18H2,1H3,(H,28,29,30);2-7,10,13-15,18,23,27,30H,8-9,11-12,16-17H2,1H3,(H,28,29,31);1-6,8,10,15-16,25H,7,9,11-14,17H2,(H,26,27,28);1-5,7,9,14-15,22H,6,8,10-13,16H2,(H,23,24,25)/t18-,19-;2*23-;18-,23-;;/m0001../s1
InChIKeyIOTCPTQVIFUFRO-OIZBYGFVSA-N
XLogP22.24
TPSA395.55 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds49
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002627.36
LogP ≤ 522.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-[[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 68846397
N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[2-(3,5-difluorophenyl)ethyl-[4-[3-[1-[2-(3,5-difluorophenyl)ethyl-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]-2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidin-2-yl]amino]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 139292772
1-[5-(2-Aminopyrimidin-4-yl)-1-(4,4-difluorocyclohexyl)-4-(4-fluorophenyl)imidazol-2-yl]-4-[2-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-[(1,1-dioxothian-4-yl)amino]pyrimidin-1-ium-1-yl]-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-1-ium-2-amine
CID 146951538
N-[3-[5-[2-amino-1-[5-[5-(2-aminopyrimidin-4-yl)-4-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-2-yl]piperidin-2-yl]pyrimidin-1-ium-4-yl]-2-(1-cyclopropylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 156748832
6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 159808748
N-(3-aminopropyl)-N-[[3-[2-[2-(3-chlorophenyl)ethylamino]-5-fluoropyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[5-fluoro-2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[5-fluoro-2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-[2,2-dideuterio-2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
CID 160312949
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
CID 160390313
2,4-Diphenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-pyridin-2-ylpyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine
CID 157458266
2-Naphthalen-2-yl-4-[4-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]pentan-3-yl]phenyl]-6-phenylpyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;2-phenyl-4-[4-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]pentan-3-yl]phenyl]-6-pyridin-2-ylpyrimidine;2-phenyl-4-[4-[3-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine
CID 157880607
2,4,6-Tris(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine;2,4,6-tris[2,3,5,6-tetramethyl-4-(5-phenylthiophen-2-yl)phenyl]pyrimidine;2,4,6-tris(2,3,5,6-tetramethyl-4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 157927914
2-[3-(3-fluorophenyl)propyl]-4-[3-[2-[(3S,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidine;1-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane;4-[3-(piperazin-1-ylmethyl)phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine
CID 158073210
N-(3-aminopropyl)-N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[5-fluoro-2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-2-ethylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2R)-2-ethylpiperazin-1-yl]methyl]phenyl]pyrimidine
CID 158246473

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine (CID 158761650) is N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine is CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cc(F)cc(F)c3)n2)c1)C[C@@H]1CCCN1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CNCC[C@H]1NCc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.Cc1ccc(CN2C[C@H](C)NC[C@@H]2C)cc1-c1ccnc(NCCc2cc(F)cc(F)c2)n1.Fc1cccc(CCNc2nccc(-c3cccc(CN4CCNCC4)c3)n2)c1.c1cc(CN2CCNCC2)cc(-c2ccnc(NCCc3cccs3)n2)c1.
What is the InChIKey of N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
The InChIKey is IOTCPTQVIFUFRO-OIZBYGFVSA-N. The full InChI is InChI=1S/C26H31F2N5.C25H29F2N5O2S.C25H30FN5O2S.C25H30FN5.C23H26FN5.C21H25N5S/c1-17-4-5-21(16-33-15-18(2)31-14-19(33)3)12-24(17)25-7-9-30-26(32-25)29-8-6-20-10-22(27)13-23(28)11-20;1-35(33,34)32(17-23-6-3-9-28-23)16-19-4-2-5-20(12-19)24-8-11-30-25(31-24)29-10-7-18-13-21(26)15-22(27)14-18;1-34(32,33)31(18-23-9-4-12-27-23)17-20-6-2-7-21(15-20)24-11-14-29-25(30-24)28-13-10-19-5-3-8-22(26)16-19;1-18-16-27-11-9-23(18)30-17-20-5-2-6-21(14-20)24-10-13-29-25(31-24)28-12-8-19-4-3-7-22(26)15-19;24-21-6-2-3-18(16-21)7-9-26-23-27-10-8-22(28-23)20-5-1-4-19(15-20)17-29-13-11-25-12-14-29;1-3-17(16-26-12-10-22-11-13-26)15-18(4-1)20-7-9-24-21(25-20)23-8-6-19-5-2-14-27-19/h4-5,7,9-13,18-19,31H,6,8,14-16H2,1-3H3,(H,29,30,32);2,4-5,8,11-15,23,28H,3,6-7,9-10,16-17H2,1H3,(H,29,30,31);2-3,5-8,11,14-16,23,27H,4,9-10,12-13,17-18H2,1H3,(H,28,29,30);2-7,10,13-15,18,23,27,30H,8-9,11-12,16-17H2,1H3,(H,28,29,31);1-6,8,10,15-16,25H,7,9,11-14,17H2,(H,26,27,28);1-5,7,9,14-15,22H,6,8,10-13,16H2,(H,23,24,25)/t18-,19-;2*23-;18-,23-;;/m0001../s1.
What are the key properties of N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine?
N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine has a molecular weight of 2627.36 g/mol, XLogP of 22.24, 49 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3,5-difluorophenyl)ethyl]-4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-methylphenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3-fluorophenyl)ethyl]-4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine;4-[3-(piperazin-1-ylmethyl)phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 158761650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).