3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea

C131H173Cl4N35O9 — CID 165023371

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea (PubChem CID 165023371) has the molecular formula C131H173Cl4N35O9 and a molecular weight of 2523.87 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea.

Molecular Properties

• Compound Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea
• PubChem CID: 165023371
• Molecular Formula: C131H173Cl4N35O9
• Molecular Weight: 2523.87 g/mol
• Exact Mass: 2520.29
• IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea
• SMILES: CC.CC.CC.CC.CC.CN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)cccc4Cl)ncn3)cc2)CC1.CN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4ccccc4)ncn3)cc2)CC1.COc1cc(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc(OC)c1.COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1Cl.Cc1cccc(C)c1NC(=O)N(C)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncn1
• InChI: InChI=1S/C25H29Cl2N7O3.C25H31N7O3.C25H31N7O.C23H25Cl2N7O.C23H27N7O.5C2H6/c1-32-9-11-34(12-10-32)17-7-5-16(6-8-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27;1-30-9-11-32(12-10-30)20-7-5-18(6-8-20)28-23-16-24(27-17-26-23)31(2)25(33)29-19-13-21(34-3)15-22(14-19)35-4;1-18-6-5-7-19(2)24(18)29-25(33)31(4)23-16-22(26-17-27-23)28-20-8-10-21(11-9-20)32-14-12-30(3)13-15-32;1-30-10-12-32(13-11-30)17-8-6-16(7-9-17)28-20-14-21(27-15-26-20)31(2)23(33)29-22-18(24)4-3-5-19(22)25;1-28-12-14-30(15-13-28)20-10-8-19(9-11-20)26-21-16-22(25-17-24-21)29(2)23(31)27-18-6-4-3-5-7-18;5*1-2/h5-8,13-15H,9-12H2,1-4H3,(H,31,35)(H,28,29,30);5-8,13-17H,9-12H2,1-4H3,(H,29,33)(H,26,27,28);5-11,16-17H,12-15H2,1-4H3,(H,29,33)(H,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H,29,33)(H,26,27,28);3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,24,25,26);5*1-2H3
• InChIKey: LMXJVCNIDMPGMA-UHFFFAOYSA-N
• XLogP: 26.60
• TPSA: 420.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.87
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea?

The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea (CID 165023371) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea.

What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea?

The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea is CC.CC.CC.CC.CC.CN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)cccc4Cl)ncn3)cc2)CC1.CN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4ccccc4)ncn3)cc2)CC1.COc1cc(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc(OC)c1.COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1Cl.Cc1cccc(C)c1NC(=O)N(C)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncn1.

What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea?

The InChIKey is LMXJVCNIDMPGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N7O3.C25H31N7O3.C25H31N7O.C23H25Cl2N7O.C23H27N7O.5C2H6/c1-32-9-11-34(12-10-32)17-7-5-16(6-8-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27;1-30-9-11-32(12-10-30)20-7-5-18(6-8-20)28-23-16-24(27-17-26-23)31(2)25(33)29-19-13-21(34-3)15-22(14-19)35-4;1-18-6-5-7-19(2)24(18)29-25(33)31(4)23-16-22(26-17-27-23)28-20-8-10-21(11-9-20)32-14-12-30(3)13-15-32;1-30-10-12-32(13-11-30)17-8-6-16(7-9-17)28-20-14-21(27-15-26-20)31(2)23(33)29-22-18(24)4-3-5-19(22)25;1-28-12-14-30(15-13-28)20-10-8-19(9-11-20)26-21-16-22(25-17-24-21)29(2)23(31)27-18-6-4-3-5-7-18;5*1-2/h5-8,13-15H,9-12H2,1-4H3,(H,31,35)(H,28,29,30);5-8,13-17H,9-12H2,1-4H3,(H,29,33)(H,26,27,28);5-11,16-17H,12-15H2,1-4H3,(H,29,33)(H,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H,29,33)(H,26,27,28);3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,24,25,26);5*1-2H3.

What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea?

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea has a molecular weight of 2523.87 g/mol, XLogP of 26.60, 29 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea is sourced from PubChem (CID 165023371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).