4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C146H164Cl4F12N36O4S — CID 158016383

IUPAC4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)N(C)C)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(Cl)c(N(C)c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C27H33ClFN7O2S.C26H30F3N7O.C24H25ClF3N5.C24H26F3N5O.C23H26ClFN6.C22H24ClFN6/c1-33-13-15-35(16-14-33)19-20-5-8-22(9-6-20)31-27-30-18-23(28)26(32-27)34(2)24-10-7-21(29)17-25(24)39(37,38)36-11-3-4-12-36;1-34(2)24(37)20-6-4-5-7-22(20)32-23-21(26(27,28)29)16-30-25(33-23)31-19-10-8-18(9-11-19)17-36-14-12-35(3)13-15-36;1-16-14-29-23(31-22(16)18-11-19(24(26,27)28)13-20(25)12-18)30-21-5-3-17(4-6-21)15-33-9-7-32(2)8-10-33;1-17-15-28-23(30-22(17)19-4-3-5-21(14-19)33-24(25,26)27)29-20-8-6-18(7-9-20)16-32-12-10-31(2)11-13-32;1-16-14-26-23(29-22(16)27-19-7-8-21(25)20(24)13-19)28-18-5-3-17(4-6-18)15-31-11-9-30(2)10-12-31;1-29-8-10-30(11-9-29)14-15-2-5-17(6-3-15)26-22-27-20(13-21(25)28-22)16-4-7-19(24)18(23)12-16/h5-10,17-18H,3-4,11-16,19H2,1-2H3,(H,30,31,32);4-11,16H,12-15,17H2,1-3H3,(H2,30,31,32,33);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);3-9,14-15H,10-13,16H2,1-2H3,(H,28,29,30);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);2-7,12-13H,8-11,14H2,1H3,(H3,25,26,27,28)
InChIKeyFFNCOVYPMCJZNY-UHFFFAOYSA-N
MW2889.02 g/mol
LogP28.02
Rot. Bonds37

About 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine

4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 158016383) has the molecular formula C146H164Cl4F12N36O4S and a molecular weight of 2889.02 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID158016383
Molecular FormulaC146H164Cl4F12N36O4S
Molecular Weight2889.02 g/mol
Exact Mass2885.20
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)N(C)C)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(Cl)c(N(C)c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C27H33ClFN7O2S.C26H30F3N7O.C24H25ClF3N5.C24H26F3N5O.C23H26ClFN6.C22H24ClFN6/c1-33-13-15-35(16-14-33)19-20-5-8-22(9-6-20)31-27-30-18-23(28)26(32-27)34(2)24-10-7-21(29)17-25(24)39(37,38)36-11-3-4-12-36;1-34(2)24(37)20-6-4-5-7-22(20)32-23-21(26(27,28)29)16-30-25(33-23)31-19-10-8-18(9-11-19)17-36-14-12-35(3)13-15-36;1-16-14-29-23(31-22(16)18-11-19(24(26,27)28)13-20(25)12-18)30-21-5-3-17(4-6-21)15-33-9-7-32(2)8-10-33;1-17-15-28-23(30-22(17)19-4-3-5-21(14-19)33-24(25,26)27)29-20-8-6-18(7-9-20)16-32-12-10-31(2)11-13-32;1-16-14-26-23(29-22(16)27-19-7-8-21(25)20(24)13-19)28-18-5-3-17(4-6-18)15-31-11-9-30(2)10-12-31;1-29-8-10-30(11-9-29)14-15-2-5-17(6-3-15)26-22-27-20(13-21(25)28-22)16-4-7-19(24)18(23)12-16/h5-10,17-18H,3-4,11-16,19H2,1-2H3,(H,30,31,32);4-11,16H,12-15,17H2,1-3H3,(H2,30,31,32,33);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);3-9,14-15H,10-13,16H2,1-2H3,(H,28,29,30);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);2-7,12-13H,8-11,14H2,1H3,(H3,25,26,27,28)
InChIKeyFFNCOVYPMCJZNY-UHFFFAOYSA-N
XLogP28.02
TPSA385.98 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.02
LogP ≤ 528.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158743291
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 158861561
4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;1-[3-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propan-2-one;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(3-methylsulfonylphenyl)pyrimidin-2-amine;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 160104791
5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;methane;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 160187678
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide;[2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(3-methylsulfonylphenyl)pyrimidin-2-amine;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 160485959
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;[2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-(4-fluorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-(3-methoxyphenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;2-methyl-5-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]benzonitrile
CID 161736982

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 158016383) is 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine is CN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccccc4C(=O)N(C)C)n3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(Cl)c(N(C)c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is FFNCOVYPMCJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN7O2S.C26H30F3N7O.C24H25ClF3N5.C24H26F3N5O.C23H26ClFN6.C22H24ClFN6/c1-33-13-15-35(16-14-33)19-20-5-8-22(9-6-20)31-27-30-18-23(28)26(32-27)34(2)24-10-7-21(29)17-25(24)39(37,38)36-11-3-4-12-36;1-34(2)24(37)20-6-4-5-7-22(20)32-23-21(26(27,28)29)16-30-25(33-23)31-19-10-8-18(9-11-19)17-36-14-12-35(3)13-15-36;1-16-14-29-23(31-22(16)18-11-19(24(26,27)28)13-20(25)12-18)30-21-5-3-17(4-6-21)15-33-9-7-32(2)8-10-33;1-17-15-28-23(30-22(17)19-4-3-5-21(14-19)33-24(25,26)27)29-20-8-6-18(7-9-20)16-32-12-10-31(2)11-13-32;1-16-14-26-23(29-22(16)27-19-7-8-21(25)20(24)13-19)28-18-5-3-17(4-6-18)15-31-11-9-30(2)10-12-31;1-29-8-10-30(11-9-29)14-15-2-5-17(6-3-15)26-22-27-20(13-21(25)28-22)16-4-7-19(24)18(23)12-16/h5-10,17-18H,3-4,11-16,19H2,1-2H3,(H,30,31,32);4-11,16H,12-15,17H2,1-3H3,(H2,30,31,32,33);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);3-9,14-15H,10-13,16H2,1-2H3,(H,28,29,30);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);2-7,12-13H,8-11,14H2,1H3,(H3,25,26,27,28).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 2889.02 g/mol, XLogP of 28.02, 37 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-4-N-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158016383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).