4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C135H145Cl6N33O2 — CID 160593442

About 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 160593442) has the molecular formula C135H145Cl6N33O2 and a molecular weight of 2474.59 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 160593442
• Molecular Formula: C135H145Cl6N33O2
• Molecular Weight: 2474.59 g/mol
• Exact Mass: 2470.04
• IUPAC Name: 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2nc(Nc3ccc(-n4cccn4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(On4cccn4)cc3)ncc2C)ccc1Cl
• InChI: InChI=1S/C24H28ClN5O.C23H27ClN6.2C23H26ClN5.C21H19ClN6O.C21H19ClN6/c1-17-15-20(7-10-22(17)25)27-23-18(2)16-26-24(29-23)28-19-5-8-21(9-6-19)31-14-13-30-11-3-4-12-30;1-16-14-19(6-9-21(16)24)26-22-17(2)15-25-23(28-22)27-18-4-7-20(8-5-18)30-12-10-29(3)11-13-30;2*1-16-14-19(8-11-21(16)24)26-22-17(2)15-25-23(28-22)27-18-6-9-20(10-7-18)29-12-4-3-5-13-29;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)29-28-11-3-10-24-28;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)28-11-3-10-24-28/h5-10,15-16H,3-4,11-14H2,1-2H3,(H2,26,27,28,29);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);2*6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28);3-13H,1-2H3,(H2,23,25,26,27);3-13H,1-2H3,(H2,23,25,26,27)
• InChIKey: RDICDAMLCHVROV-UHFFFAOYSA-N
• XLogP: 33.84
• TPSA: 369.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.59
LogP ≤ 5	33.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 160593442) is 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(-n4cccn4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(On4cccn4)cc3)ncc2C)ccc1Cl.

What is the InChIKey of 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The InChIKey is RDICDAMLCHVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O.C23H27ClN6.2C23H26ClN5.C21H19ClN6O.C21H19ClN6/c1-17-15-20(7-10-22(17)25)27-23-18(2)16-26-24(29-23)28-19-5-8-21(9-6-19)31-14-13-30-11-3-4-12-30;1-16-14-19(6-9-21(16)24)26-22-17(2)15-25-23(28-22)27-18-4-7-20(8-5-18)30-12-10-29(3)11-13-30;2*1-16-14-19(8-11-21(16)24)26-22-17(2)15-25-23(28-22)27-18-6-9-20(10-7-18)29-12-4-3-5-13-29;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)29-28-11-3-10-24-28;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)28-11-3-10-24-28/h5-10,15-16H,3-4,11-14H2,1-2H3,(H2,26,27,28,29);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);2*6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28);3-13H,1-2H3,(H2,23,25,26,27);3-13H,1-2H3,(H2,23,25,26,27).

What are the key properties of 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2474.59 g/mol, XLogP of 33.84, 34 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;bis(4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine);4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160593442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).