4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea

C183H210Cl2N38O11S — CID 160810963

About 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea

4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea (PubChem CID 160810963) has the molecular formula C183H210Cl2N38O11S and a molecular weight of 3220.92 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea
• PubChem CID: 160810963
• Molecular Formula: C183H210Cl2N38O11S
• Molecular Weight: 3220.92 g/mol
• Exact Mass: 3217.61
• IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea
• SMILES: CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1.CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1C.COc1cc(Nc2nc(Nc3ccc(S(=O)(=O)C4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3C)c2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C)c1C
• InChI: InChI=1S/C30H34N8O.C29H32N8O.C26H31N5O2.C25H29N5O2.C25H30N4O.C24H27ClN4O3S.C24H27ClN4O/c1-21-6-4-7-24(18-21)34-30(39)35-26-9-5-8-25(19-26)32-28-22(2)20-31-29(36-28)33-23-10-12-27(13-11-23)38-16-14-37(3)15-17-38;1-21-20-30-28(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;1-17-16-27-26(29-20-12-14-22(15-13-20)33-21-8-5-4-6-9-21)31-25(17)30-24-11-7-10-23(18(24)2)28-19(3)32;1-17-16-26-25(30-24(17)28-21-8-6-7-20(15-21)27-18(2)31)29-19-11-13-23(14-12-19)32-22-9-4-3-5-10-22;1-17-8-7-11-23(19(17)3)28-24-18(2)16-26-25(29-24)27-20-12-14-22(15-13-20)30-21-9-5-4-6-10-21;1-16-15-26-24(29-23(16)27-18-10-13-21(25)22(14-18)32-2)28-17-8-11-20(12-9-17)33(30,31)19-6-4-3-5-7-19;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/h4-13,18-20H,14-17H2,1-3H3,(H2,34,35,39)(H2,31,32,33,36);3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);7,10-16,21H,4-6,8-9H2,1-3H3,(H,28,32)(H2,27,29,30,31);6-8,11-16,22H,3-5,9-10H2,1-2H3,(H,27,31)(H2,26,28,29,30);7-8,11-16,21H,4-6,9-10H2,1-3H3,(H2,26,27,28,29);8-15,19H,3-7H2,1-2H3,(H2,26,27,28,29);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29)
• InChIKey: SEHQZTCNYBYMKI-UHFFFAOYSA-N
• XLogP: 43.42
• TPSA: 582.59 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 43
• Rotatable Bonds: 47
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3220.92
LogP ≤ 5	43.42
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	43

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)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea (CID 160810963) is 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea.

What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea is CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1.CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1C.COc1cc(Nc2nc(Nc3ccc(S(=O)(=O)C4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3C)c2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C)c1C.

What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The InChIKey is SEHQZTCNYBYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O.C29H32N8O.C26H31N5O2.C25H29N5O2.C25H30N4O.C24H27ClN4O3S.C24H27ClN4O/c1-21-6-4-7-24(18-21)34-30(39)35-26-9-5-8-25(19-26)32-28-22(2)20-31-29(36-28)33-23-10-12-27(13-11-23)38-16-14-37(3)15-17-38;1-21-20-30-28(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;1-17-16-27-26(29-20-12-14-22(15-13-20)33-21-8-5-4-6-9-21)31-25(17)30-24-11-7-10-23(18(24)2)28-19(3)32;1-17-16-26-25(30-24(17)28-21-8-6-7-20(15-21)27-18(2)31)29-19-11-13-23(14-12-19)32-22-9-4-3-5-10-22;1-17-8-7-11-23(19(17)3)28-24-18(2)16-26-25(29-24)27-20-12-14-22(15-13-20)30-21-9-5-4-6-10-21;1-16-15-26-24(29-23(16)27-18-10-13-21(25)22(14-18)32-2)28-17-8-11-20(12-9-17)33(30,31)19-6-4-3-5-7-19;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/h4-13,18-20H,14-17H2,1-3H3,(H2,34,35,39)(H2,31,32,33,36);3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);7,10-16,21H,4-6,8-9H2,1-3H3,(H,28,32)(H2,27,29,30,31);6-8,11-16,22H,3-5,9-10H2,1-2H3,(H,27,31)(H2,26,28,29,30);7-8,11-16,21H,4-6,9-10H2,1-3H3,(H2,26,27,28,29);8-15,19H,3-7H2,1-2H3,(H2,26,27,28,29);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29).

What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea has a molecular weight of 3220.92 g/mol, XLogP of 43.42, 47 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea is sourced from PubChem (CID 160810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).