4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C148H171Cl2N35O11S — CID 159855837

About 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide

4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 159855837) has the molecular formula C148H171Cl2N35O11S and a molecular weight of 2719.20 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
• PubChem CID: 159855837
• Molecular Formula: C148H171Cl2N35O11S
• Molecular Weight: 2719.20 g/mol
• Exact Mass: 2716.30
• IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)c1.CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)c1C.COc1cc(Nc2nc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)ncc2C)ccc1Cl.COc1cccc(Nc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)c1C.Cc1cc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C29H32N8O.C25H30N6O2.C24H28N6O2.C24H29N5O2.C23H26ClN5O3S.C23H26ClN5O/c1-21-20-30-28(32-23-11-13-26(14-12-23)37-17-15-36(2)16-18-37)35-27(21)31-24-9-6-10-25(19-24)34-29(38)33-22-7-4-3-5-8-22;1-16-15-27-25(29-19-7-9-20(10-8-19)33-21-11-13-26-14-12-21)31-24(16)30-23-6-4-5-22(17(23)2)28-18(3)32;1-16-15-26-24(30-23(16)28-20-5-3-4-19(14-20)27-17(2)31)29-18-6-8-21(9-7-18)32-22-10-12-25-13-11-22;1-18-21(6-5-7-22(18)30-2)27-23-12-13-25-24(28-23)26-19-8-10-20(11-9-19)31-17-16-29-14-3-4-15-29;1-15-14-26-23(29-22(15)27-17-5-8-20(24)21(13-17)32-2)28-16-3-6-18(7-4-16)33(30,31)19-9-11-25-12-10-19;1-15-13-18(5-8-21(15)24)27-22-16(2)14-26-23(29-22)28-17-3-6-19(7-4-17)30-20-9-11-25-12-10-20/h3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);4-10,15,21,26H,11-14H2,1-3H3,(H,28,32)(H2,27,29,30,31);3-9,14-15,22,25H,10-13H2,1-2H3,(H,27,31)(H2,26,28,29,30);5-13H,3-4,14-17H2,1-2H3,(H2,25,26,27,28);3-8,13-14,19,25H,9-12H2,1-2H3,(H2,26,27,28,29);3-8,13-14,20,25H,9-12H2,1-2H3,(H2,26,27,28,29)
• InChIKey: NQNCFACNLZPOPZ-UHFFFAOYSA-N
• XLogP: 29.28
• TPSA: 545.73 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2719.20
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	42

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-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?

The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 159855837) is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?

The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)c1.CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)c1C.COc1cc(Nc2nc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)ncc2C)ccc1Cl.COc1cccc(Nc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)c1C.Cc1cc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.

What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?

The InChIKey is NQNCFACNLZPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O.C25H30N6O2.C24H28N6O2.C24H29N5O2.C23H26ClN5O3S.C23H26ClN5O/c1-21-20-30-28(32-23-11-13-26(14-12-23)37-17-15-36(2)16-18-37)35-27(21)31-24-9-6-10-25(19-24)34-29(38)33-22-7-4-3-5-8-22;1-16-15-27-25(29-19-7-9-20(10-8-19)33-21-11-13-26-14-12-21)31-24(16)30-23-6-4-5-22(17(23)2)28-18(3)32;1-16-15-26-24(30-23(16)28-20-5-3-4-19(14-20)27-17(2)31)29-18-6-8-21(9-7-18)32-22-10-12-25-13-11-22;1-18-21(6-5-7-22(18)30-2)27-23-12-13-25-24(28-23)26-19-8-10-20(11-9-19)31-17-16-29-14-3-4-15-29;1-15-14-26-23(29-22(15)27-17-5-8-20(24)21(13-17)32-2)28-16-3-6-18(7-4-16)33(30,31)19-9-11-25-12-10-19;1-15-13-18(5-8-21(15)24)27-22-16(2)14-26-23(29-22)28-17-3-6-19(7-4-17)30-20-9-11-25-12-10-20/h3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);4-10,15,21,26H,11-14H2,1-3H3,(H,28,32)(H2,27,29,30,31);3-9,14-15,22,25H,10-13H2,1-2H3,(H,27,31)(H2,26,28,29,30);5-13H,3-4,14-17H2,1-2H3,(H2,25,26,27,28);3-8,13-14,19,25H,9-12H2,1-2H3,(H2,26,27,28,29);3-8,13-14,20,25H,9-12H2,1-2H3,(H2,26,27,28,29).

What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide?

4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 2719.20 g/mol, XLogP of 29.28, 43 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxy-2-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea;N-[2-methyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide;N-[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 159855837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).