4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine

C119H131Cl5F6N26 — CID 159362660

IUPAC4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(Nc3ncc(C4CC4)c(-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)nc1-c1cccc(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(N(C)C3CCN(C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H27ClFN5.C24H25ClF3N5.C24H27ClFN5.C23H26ClFN6.C23H26ClN5/c1-31-10-12-32(13-11-31)16-17-2-7-20(8-3-17)29-25-28-15-21(18-4-5-18)24(30-25)19-6-9-23(27)22(26)14-19;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;1-16-15-27-24(29-23(16)17-4-9-22(26)21(25)14-17)28-18-5-7-19(8-6-18)31(3)20-10-12-30(2)13-11-20;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;1-17-15-25-23(27-22(17)19-4-3-5-20(24)14-19)26-21-8-6-18(7-9-21)16-29-12-10-28(2)11-13-29/h2-3,6-9,14-15,18H,4-5,10-13,16H2,1H3,(H,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);4-9,14-15,20H,10-13H2,1-3H3,(H,27,28,29);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27)
InChIKeyLISSSDUUVMCWAP-UHFFFAOYSA-N
MW2216.79 g/mol
LogP25.85
Rot. Bonds27

About 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine

4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine (PubChem CID 159362660) has the molecular formula C119H131Cl5F6N26 and a molecular weight of 2216.79 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
PubChem CID159362660
Molecular FormulaC119H131Cl5F6N26
Molecular Weight2216.79 g/mol
Exact Mass2212.94
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(Nc3ncc(C4CC4)c(-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)nc1-c1cccc(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(N(C)C3CCN(C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H27ClFN5.C24H25ClF3N5.C24H27ClFN5.C23H26ClFN6.C23H26ClN5/c1-31-10-12-32(13-11-31)16-17-2-7-20(8-3-17)29-25-28-15-21(18-4-5-18)24(30-25)19-6-9-23(27)22(26)14-19;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;1-16-15-27-24(29-23(16)17-4-9-22(26)21(25)14-17)28-18-5-7-19(8-6-18)31(3)20-10-12-30(2)13-11-20;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;1-17-15-25-23(27-22(17)19-4-3-5-20(24)14-19)26-21-8-6-18(7-9-21)16-29-12-10-28(2)11-13-29/h2-3,6-9,14-15,18H,4-5,10-13,16H2,1H3,(H,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);4-9,14-15,20H,10-13H2,1-3H3,(H,27,28,29);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27)
InChIKeyLISSSDUUVMCWAP-UHFFFAOYSA-N
XLogP25.85
TPSA233.48 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.79
LogP ≤ 525.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine (CID 159362660) is 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine is CN1CCN(Cc2ccc(Nc3ncc(C4CC4)c(-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)nc1-c1cccc(Cl)c1.Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1.Cc1cnc(Nc2ccc(N(C)C3CCN(C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The InChIKey is LISSSDUUVMCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN5.C24H25ClF3N5.C24H27ClFN5.C23H26ClFN6.C23H26ClN5/c1-31-10-12-32(13-11-31)16-17-2-7-20(8-3-17)29-25-28-15-21(18-4-5-18)24(30-25)19-6-9-23(27)22(26)14-19;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;1-16-15-27-24(29-23(16)17-4-9-22(26)21(25)14-17)28-18-5-7-19(8-6-18)31(3)20-10-12-30(2)13-11-20;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;1-17-15-25-23(27-22(17)19-4-3-5-20(24)14-19)26-21-8-6-18(7-9-21)16-29-12-10-28(2)11-13-29/h2-3,6-9,14-15,18H,4-5,10-13,16H2,1H3,(H,28,29,30);3-6,11-14H,7-10,15H2,1-2H3,(H,29,30,31);4-9,14-15,20H,10-13H2,1-3H3,(H,27,28,29);3-8,13-14H,9-12,15H2,1-2H3,(H2,26,27,28,29);3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine?
4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine has a molecular weight of 2216.79 g/mol, XLogP of 25.85, 27 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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;1-N-[4-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-yl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine;4-(3-chlorophenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159362660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).