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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide

C95H108Cl3F5N24O — CID 160732396

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide
SMILESCN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C26H33N7O.C24H25ClF3N5.C23H26ClFN6.C22H24ClFN6/c1-19-17-27-26(30-24(19)29-23-8-6-5-7-22(23)25(34)31(2)3)28-21-11-9-20(10-12-21)18-33-15-13-32(4)14-16-33;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;1-16-14-26-23(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/h5-12,17H,13-16,18H2,1-4H3,(H2,27,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);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)
InChIKeyRUNAVIHFDUDSAL-UHFFFAOYSA-N
MW1803.42 g/mol
LogP18.16
Rot. Bonds23

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide (PubChem CID 160732396) has the molecular formula C95H108Cl3F5N24O and a molecular weight of 1803.42 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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide.

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide
PubChem CID160732396
Molecular FormulaC95H108Cl3F5N24O
Molecular Weight1803.42 g/mol
Exact Mass1800.81
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide
SMILESCN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C26H33N7O.C24H25ClF3N5.C23H26ClFN6.C22H24ClFN6/c1-19-17-27-26(30-24(19)29-23-8-6-5-7-22(23)25(34)31(2)3)28-21-11-9-20(10-12-21)18-33-15-13-32(4)14-16-33;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;1-16-14-26-23(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/h5-12,17H,13-16,18H2,1-4H3,(H2,27,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);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)
InChIKeyRUNAVIHFDUDSAL-UHFFFAOYSA-N
XLogP18.16
TPSA247.55 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001803.42
LogP ≤ 518.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide with MolForge

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Related Compounds

3-chloro-N-[4-methyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 71183554
2-[(1S)-1-[[6-amino-5-[2-(5-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]amino]ethyl]-3-(3-chlorophenyl)-6-fluoroquinazolin-4-one
CID 90232951
4-chloro-N-[4-({[2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-(trifluoromethyl)quinazolin-4-yl]amino}methyl)phenyl]benzamide
CID 68943951
3-chloro-2-fluoro-N-[4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl]-5-(trifluoromethyl)benzamide
CID 11684779
4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
[4-[[9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 57797899
(3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 58327789
4-(3-chloro-4-fluorophenylamino)-N-methyl-2-(pyridin-3-yl)-N-(2,2,2-trifluoroethyl)quinazoline-6-carboxamide
CID 67297980
[4-[[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 68261316
[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 71180155
[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-piperidin-1-ylmethanone
CID 71180193
[4-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-piperidin-1-ylmethanone
CID 71274248

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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide?
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide (CID 160732396) 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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide.
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide?
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide is CN1CCN(Cc2ccc(Nc3nc(N)cc(-c4ccc(F)c(Cl)c4)n3)cc2)CC1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1-c1cc(Cl)cc(C(F)(F)F)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccccc1C(=O)N(C)C.
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide?
The InChIKey is RUNAVIHFDUDSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O.C24H25ClF3N5.C23H26ClFN6.C22H24ClFN6/c1-19-17-27-26(30-24(19)29-23-8-6-5-7-22(23)25(34)31(2)3)28-21-11-9-20(10-12-21)18-33-15-13-32(4)14-16-33;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;1-16-14-26-23(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/h5-12,17H,13-16,18H2,1-4H3,(H2,27,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide?
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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide has a molecular weight of 1803.42 g/mol, XLogP of 18.16, 23 rotatable bonds, 7 hydrogen bond donors, and 24 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;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 160732396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).