[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate

C151H162F5N23O20 — CID 158625309

About [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate

[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate (PubChem CID 158625309) has the molecular formula C151H162F5N23O20 and a molecular weight of 2714.09 g/mol. Its IUPAC name is [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate.

Molecular Properties

• Compound Name: [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate
• PubChem CID: 158625309
• Molecular Formula: C151H162F5N23O20
• Molecular Weight: 2714.09 g/mol
• Exact Mass: 2712.23
• IUPAC Name: [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate
• SMILES: COc1cc(CC(=O)c2cccc(C(F)(F)F)c2)cc(OC(=O)N(c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c2ccc(OC)cc2OC)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCN(C)CC4)c3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2cc(C(=O)Nc3cccc(C(C)(F)F)c3)ccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1
• InChI: InChI=1S/C41H40F3N5O6.C41H42F2N6O5.C36H43N7O5.C33H37N5O4/c1-47-16-18-48(19-17-47)31-10-8-27(9-11-31)23-38-45-15-14-39(46-38)49(35-13-12-32(52-2)26-37(35)54-4)40(51)55-34-21-28(20-33(25-34)53-3)22-36(50)29-6-5-7-30(24-29)41(42,43)44;1-27-9-12-29(39(50)45-31-8-6-7-30(25-31)41(2,42)43)24-35(27)54-40(51)49(34-16-15-33(52-4)26-36(34)53-5)38-17-18-44-37(46-38)23-28-10-13-32(14-11-28)48-21-19-47(3)20-22-48;1-25-7-6-8-26(2)34(25)48-36(44)43(31-10-9-30(45-4)24-32(31)46-5)33-11-12-37-35(39-33)38-27-21-28(41-15-13-40(3)14-16-41)23-29(22-27)42-17-19-47-20-18-42;1-23-7-6-8-24(2)32(23)42-33(39)38(28-14-13-27(40-4)22-29(28)41-5)31-15-16-34-30(35-31)21-25-9-11-26(12-10-25)37-19-17-36(3)18-20-37/h5-15,20-21,24-26H,16-19,22-23H2,1-4H3;6-18,24-26H,19-23H2,1-5H3,(H,45,50);6-12,21-24H,13-20H2,1-5H3,(H,37,38,39);6-16,22H,17-21H2,1-5H3
• InChIKey: HYNCEXORXWLIQU-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 400.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2714.09
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?

The IUPAC name of [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate (CID 158625309) is [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate.

What is the SMILES notation for [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?

The canonical SMILES for [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate is COc1cc(CC(=O)c2cccc(C(F)(F)F)c2)cc(OC(=O)N(c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c2ccc(OC)cc2OC)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCN(C)CC4)c3)n2)c(OC)c1.COc1ccc(N(C(=O)Oc2cc(C(=O)Nc3cccc(C(C)(F)F)c3)ccc2C)c2ccnc(Cc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1.

What is the InChIKey of [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?

The InChIKey is HYNCEXORXWLIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40F3N5O6.C41H42F2N6O5.C36H43N7O5.C33H37N5O4/c1-47-16-18-48(19-17-47)31-10-8-27(9-11-31)23-38-45-15-14-39(46-38)49(35-13-12-32(52-2)26-37(35)54-4)40(51)55-34-21-28(20-33(25-34)53-3)22-36(50)29-6-5-7-30(24-29)41(42,43)44;1-27-9-12-29(39(50)45-31-8-6-7-30(25-31)41(2,42)43)24-35(27)54-40(51)49(34-16-15-33(52-4)26-36(34)53-5)38-17-18-44-37(46-38)23-28-10-13-32(14-11-28)48-21-19-47(3)20-22-48;1-25-7-6-8-26(2)34(25)48-36(44)43(31-10-9-30(45-4)24-32(31)46-5)33-11-12-37-35(39-33)38-27-21-28(41-15-13-40(3)14-16-41)23-29(22-27)42-17-19-47-20-18-42;1-23-7-6-8-24(2)32(23)42-33(39)38(28-14-13-27(40-4)22-29(28)41-5)31-15-16-34-30(35-31)21-25-9-11-26(12-10-25)37-19-17-36(3)18-20-37/h5-15,20-21,24-26H,16-19,22-23H2,1-4H3;6-18,24-26H,19-23H2,1-5H3,(H,45,50);6-12,21-24H,13-20H2,1-5H3,(H,37,38,39);6-16,22H,17-21H2,1-5H3.

What are the key properties of [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate?

[5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate has a molecular weight of 2714.09 g/mol, XLogP of 27.04, 40 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-2-methylphenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)-5-morpholin-4-ylanilino]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate;[3-methoxy-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 158625309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).