4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

C141H164Cl2F6N34O4 — CID 162187366

About 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 162187366) has the molecular formula C141H164Cl2F6N34O4 and a molecular weight of 2583.99 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 162187366
• Molecular Formula: C141H164Cl2F6N34O4
• Molecular Weight: 2583.99 g/mol
• Exact Mass: 2581.30
• IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1cc(Cl)ccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C)c1C.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1
• InChI: InChI=1S/C24H25ClF3N5O.C24H26F3N5O2.2C24H30N6.C23H27ClN6.C22H26N6O/c1-16-15-29-23(32-22(16)30-18-6-9-21(25)20(14-18)24(26,27)28)31-17-4-7-19(8-5-17)34-13-12-33-10-2-3-11-33;1-17-16-28-23(31-22(17)29-19-5-4-6-21(15-19)34-24(25,26)27)30-18-7-9-20(10-8-18)33-14-13-32-11-2-3-12-32;1-17-5-6-21(15-18(17)2)26-23-19(3)16-25-24(28-23)27-20-7-9-22(10-8-20)30-13-11-29(4)12-14-30;1-17-6-5-7-22(19(17)3)27-23-18(2)16-25-24(28-23)26-20-8-10-21(11-9-20)30-14-12-29(4)13-15-30;1-16-14-18(24)4-9-21(16)27-22-17(2)15-25-23(28-22)26-19-5-7-20(8-6-19)30-12-10-29(3)11-13-30;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28/h4-9,14-15H,2-3,10-13H2,1H3,(H2,29,30,31,32);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);5-11,16H,12-15H2,1-4H3,(H2,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27)
• InChIKey: ZPVKKAQKJMLUQS-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 378.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2583.99
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 162187366) is 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is Cc1cc(Cl)ccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C)c1C.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1.

What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The InChIKey is ZPVKKAQKJMLUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O.C24H26F3N5O2.2C24H30N6.C23H27ClN6.C22H26N6O/c1-16-15-29-23(32-22(16)30-18-6-9-21(25)20(14-18)24(26,27)28)31-17-4-7-19(8-5-17)34-13-12-33-10-2-3-11-33;1-17-16-28-23(31-22(17)29-19-5-4-6-21(15-19)34-24(25,26)27)30-18-7-9-20(10-8-18)33-14-13-32-11-2-3-12-32;1-17-5-6-21(15-18(17)2)26-23-19(3)16-25-24(28-23)27-20-7-9-22(10-8-20)30-13-11-29(4)12-14-30;1-17-6-5-7-22(19(17)3)27-23-18(2)16-25-24(28-23)26-20-8-10-21(11-9-20)30-14-12-29(4)13-15-30;1-16-14-18(24)4-9-21(16)27-22-17(2)15-25-23(28-22)26-19-5-7-20(8-6-19)30-12-10-29(3)11-13-30;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28/h4-9,14-15H,2-3,10-13H2,1H3,(H2,29,30,31,32);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);5-11,16H,12-15H2,1-4H3,(H2,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27).

What are the key properties of 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2583.99 g/mol, XLogP of 30.47, 40 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-2-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,3-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 162187366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).