N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide

C149H145Cl6F3N32O13 — CID 160833931

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 160833931) has the molecular formula C149H145Cl6F3N32O13 and a molecular weight of 2861.72 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
• PubChem CID: 160833931
• Molecular Formula: C149H145Cl6F3N32O13
• Molecular Weight: 2861.72 g/mol
• Exact Mass: 2856.98
• IUPAC Name: N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCOCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)cc1.CCN1CCN(C(=O)COc2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)cc2)CC1.CCN1CCN(C(=O)c2cc(NC(=O)c3c(Cl)cccc3Cl)cc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1.CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1cccc(Nc2nccc(-c3ccc(Cl)cc3Cl)n2)c1)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C32H31Cl2N7O3.C26H30N6O3.C23H14Cl4N4O.C23H22F3N5O2.C23H23N5O3.C22H25N5O/c1-3-40-13-15-41(16-14-40)31(44)22-17-24(37-30(43)29-26(33)5-4-6-27(29)34)19-25(18-22)38-32-35-12-11-28(39-32)21-7-9-23(10-8-21)36-20(2)42;1-3-31-14-16-32(17-15-31)25(34)18-35-23-10-8-22(9-11-23)29-26-27-13-12-24(30-26)20-4-6-21(7-5-20)28-19(2)33;24-13-7-8-16(19(27)11-13)20-9-10-28-23(31-20)30-15-4-1-3-14(12-15)29-22(32)21-17(25)5-2-6-18(21)26;1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31;1-16(29)25-19-7-5-17(6-8-19)21-9-10-24-23(27-21)26-20-4-2-3-18(15-20)22(30)28-11-13-31-14-12-28;1-26(2)19-7-3-17(4-8-19)21-11-12-23-22(25-21)24-18-5-9-20(10-6-18)27-13-15-28-16-14-27/h4-12,17-19H,3,13-16H2,1-2H3,(H,36,42)(H,37,43)(H,35,38,39);4-13H,3,14-18H2,1-2H3,(H,28,33)(H,27,29,30);1-12H,(H,29,32)(H,28,30,31);2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30);2-10,15H,11-14H2,1H3,(H,25,29)(H,24,26,27);3-12H,13-16H2,1-2H3,(H,23,24,25)
• InChIKey: SHDWYUJZWUXPKO-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 515.51 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2861.72
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	12
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 N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide (CID 160833931) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCOCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)cc1.CCN1CCN(C(=O)COc2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)cc2)CC1.CCN1CCN(C(=O)c2cc(NC(=O)c3c(Cl)cccc3Cl)cc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1.CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1cccc(Nc2nccc(-c3ccc(Cl)cc3Cl)n2)c1)c1c(Cl)cccc1Cl.

What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?

The InChIKey is SHDWYUJZWUXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2N7O3.C26H30N6O3.C23H14Cl4N4O.C23H22F3N5O2.C23H23N5O3.C22H25N5O/c1-3-40-13-15-41(16-14-40)31(44)22-17-24(37-30(43)29-26(33)5-4-6-27(29)34)19-25(18-22)38-32-35-12-11-28(39-32)21-7-9-23(10-8-21)36-20(2)42;1-3-31-14-16-32(17-15-31)25(34)18-35-23-10-8-22(9-11-23)29-26-27-13-12-24(30-26)20-4-6-21(7-5-20)28-19(2)33;24-13-7-8-16(19(27)11-13)20-9-10-28-23(31-20)30-15-4-1-3-14(12-15)29-22(32)21-17(25)5-2-6-18(21)26;1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31;1-16(29)25-19-7-5-17(6-8-19)21-9-10-24-23(27-21)26-20-4-2-3-18(15-20)22(30)28-11-13-31-14-12-28;1-26(2)19-7-3-17(4-8-19)21-11-12-23-22(25-21)24-18-5-9-20(10-6-18)27-13-15-28-16-14-27/h4-12,17-19H,3,13-16H2,1-2H3,(H,36,42)(H,37,43)(H,35,38,39);4-13H,3,14-18H2,1-2H3,(H,28,33)(H,27,29,30);1-12H,(H,29,32)(H,28,30,31);2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30);2-10,15H,11-14H2,1H3,(H,25,29)(H,24,26,27);3-12H,13-16H2,1-2H3,(H,23,24,25).

What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2861.72 g/mol, XLogP of 29.13, 36 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-5-(4-ethylpiperazine-1-carbonyl)phenyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 160833931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).