4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide

C146H169ClN36O5S — CID 158608570

About 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide

4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 158608570) has the molecular formula C146H169ClN36O5S and a molecular weight of 2575.72 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
• PubChem CID: 158608570
• Molecular Formula: C146H169ClN36O5S
• Molecular Weight: 2575.72 g/mol
• Exact Mass: 2573.35
• IUPAC Name: 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
• SMILES: Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(N)=O)c1C.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1
• InChI: InChI=1S/C25H29N7.2C25H28N6.C24H27ClN4O.C24H29N7O.C23H28N6O3S/c1-17-4-9-22(21-10-11-26-23(17)21)29-24-18(2)16-27-25(30-24)28-19-5-7-20(8-6-19)32-14-12-31(3)13-15-32;2*1-18-16-27-25(30-24(18)29-23-7-5-6-22-21(23)12-13-26-22)28-20-10-8-19(9-11-20)17-31-14-3-2-4-15-31;1-16-14-19(10-13-22(16)25)27-23-17(2)15-26-24(29-23)28-18-8-11-21(12-9-18)30-20-6-4-3-5-7-20;1-16-15-26-24(29-23(16)28-21-6-4-5-20(17(21)2)22(25)32)27-18-7-9-19(10-8-18)31-13-11-30(3)12-14-31;1-17-16-25-23(28-22(17)26-19-5-4-6-21(15-19)33(24,30)31)27-18-7-9-20(10-8-18)32-14-13-29-11-2-3-12-29/h4-11,16,26H,12-15H2,1-3H3,(H2,27,28,29,30);2*5-13,16,26H,2-4,14-15,17H2,1H3,(H2,27,28,29,30);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29);4-10,15H,11-14H2,1-3H3,(H2,25,32)(H2,26,27,28,29);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,30,31)(H2,25,26,27,28)
• InChIKey: HWNUSGPPRMSMML-UHFFFAOYSA-N
• XLogP: 30.06
• TPSA: 490.80 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2575.72
LogP ≤ 5	30.06
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	36

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)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?

The IUPAC name of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide (CID 158608570) is 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide.

What is the SMILES notation for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?

The canonical SMILES for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide is Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(CN3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(N)=O)c1C.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1.

What is the InChIKey of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?

The InChIKey is HWNUSGPPRMSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7.2C25H28N6.C24H27ClN4O.C24H29N7O.C23H28N6O3S/c1-17-4-9-22(21-10-11-26-23(17)21)29-24-18(2)16-27-25(30-24)28-19-5-7-20(8-6-19)32-14-12-31(3)13-15-32;2*1-18-16-27-25(30-24(18)29-23-7-5-6-22-21(23)12-13-26-22)28-20-10-8-19(9-11-20)17-31-14-3-2-4-15-31;1-16-14-19(10-13-22(16)25)27-23-17(2)15-26-24(29-23)28-18-8-11-21(12-9-18)30-20-6-4-3-5-7-20;1-16-15-26-24(29-23(16)28-21-6-4-5-20(17(21)2)22(25)32)27-18-7-9-19(10-8-18)31-13-11-30(3)12-14-31;1-17-16-25-23(28-22(17)26-19-5-4-6-21(15-19)33(24,30)31)27-18-7-9-20(10-8-18)32-14-13-29-11-2-3-12-29/h4-11,16,26H,12-15H2,1-3H3,(H2,27,28,29,30);2*5-13,16,26H,2-4,14-15,17H2,1H3,(H2,27,28,29,30);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29);4-10,15H,11-14H2,1-3H3,(H2,25,32)(H2,26,27,28,29);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,30,31)(H2,25,26,27,28).

What are the key properties of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?

4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 2575.72 g/mol, XLogP of 30.06, 38 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;bis(4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine);5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158608570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).