3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

C128H124ClN31O10 — CID 159915447

IUPAC3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cnccn5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4nc5ccccc5n4C)c3)n2)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CCCNC(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1
InChIInChI=1S/C29H27ClN6O2.C28H25N7O2.C27H26N8O2.2C22H23N5O2/c1-20(37)32-24-10-8-21(9-11-24)27-12-13-31-29(34-27)33-25-6-2-4-22(18-25)28(38)36-16-14-35(15-17-36)26-7-3-5-23(30)19-26;1-18(36)31-21-12-10-19(11-13-21)23-14-15-29-28(34-23)32-22-7-5-6-20(16-22)27(37)30-17-26-33-24-8-3-4-9-25(24)35(26)2;1-19(36)31-22-7-5-20(6-8-22)24-9-10-30-27(33-24)32-23-4-2-3-21(17-23)26(37)35-15-13-34(14-16-35)25-18-28-11-12-29-25;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-3-12-23-21(29)17-5-4-6-19(14-17)26-22-24-13-11-20(27-22)16-7-9-18(10-8-16)25-15(2)28/h2-13,18-19H,14-17H2,1H3,(H,32,37)(H,31,33,34);3-16H,17H2,1-2H3,(H,30,37)(H,31,36)(H,29,32,34);2-12,17-18H,13-16H2,1H3,(H,31,36)(H,30,32,33);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);4-11,13-14H,3,12H2,1-2H3,(H,23,29)(H,25,28)(H,24,26,27)
InChIKeyNXSJMOQYFSCRKQ-UHFFFAOYSA-N
MW2292.06 g/mol
LogP21.39
Rot. Bonds31

About 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 159915447) has the molecular formula C128H124ClN31O10 and a molecular weight of 2292.06 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID159915447
Molecular FormulaC128H124ClN31O10
Molecular Weight2292.06 g/mol
Exact Mass2289.98
IUPAC Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cnccn5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4nc5ccccc5n4C)c3)n2)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CCCNC(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1
InChIInChI=1S/C29H27ClN6O2.C28H25N7O2.C27H26N8O2.2C22H23N5O2/c1-20(37)32-24-10-8-21(9-11-24)27-12-13-31-29(34-27)33-25-6-2-4-22(18-25)28(38)36-16-14-35(15-17-36)26-7-3-5-23(30)19-26;1-18(36)31-21-12-10-19(11-13-21)23-14-15-29-28(34-23)32-22-7-5-6-20(16-22)27(37)30-17-26-33-24-8-3-4-9-25(24)35(26)2;1-19(36)31-22-7-5-20(6-8-22)24-9-10-30-27(33-24)32-23-4-2-3-21(17-23)26(37)35-15-13-34(14-16-35)25-18-28-11-12-29-25;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-3-12-23-21(29)17-5-4-6-19(14-17)26-22-24-13-11-20(27-22)16-7-9-18(10-8-16)25-15(2)28/h2-13,18-19H,14-17H2,1H3,(H,32,37)(H,31,33,34);3-16H,17H2,1-2H3,(H,30,37)(H,31,36)(H,29,32,34);2-12,17-18H,13-16H2,1H3,(H,31,36)(H,30,32,33);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);4-11,13-14H,3,12H2,1-2H3,(H,23,29)(H,25,28)(H,24,26,27)
InChIKeyNXSJMOQYFSCRKQ-UHFFFAOYSA-N
XLogP21.39
TPSA495.92 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002292.06
LogP ≤ 521.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (CID 159915447) is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5cnccn5)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4nc5ccccc5n4C)c3)n2)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CCCNC(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1.
What is the InChIKey of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is NXSJMOQYFSCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6O2.C28H25N7O2.C27H26N8O2.2C22H23N5O2/c1-20(37)32-24-10-8-21(9-11-24)27-12-13-31-29(34-27)33-25-6-2-4-22(18-25)28(38)36-16-14-35(15-17-36)26-7-3-5-23(30)19-26;1-18(36)31-21-12-10-19(11-13-21)23-14-15-29-28(34-23)32-22-7-5-6-20(16-22)27(37)30-17-26-33-24-8-3-4-9-25(24)35(26)2;1-19(36)31-22-7-5-20(6-8-22)24-9-10-30-27(33-24)32-23-4-2-3-21(17-23)26(37)35-15-13-34(14-16-35)25-18-28-11-12-29-25;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-3-12-23-21(29)17-5-4-6-19(14-17)26-22-24-13-11-20(27-22)16-7-9-18(10-8-16)25-15(2)28/h2-13,18-19H,14-17H2,1H3,(H,32,37)(H,31,33,34);3-16H,17H2,1-2H3,(H,30,37)(H,31,36)(H,29,32,34);2-12,17-18H,13-16H2,1H3,(H,31,36)(H,30,32,33);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);4-11,13-14H,3,12H2,1-2H3,(H,23,29)(H,25,28)(H,24,26,27).
What are the key properties of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2292.06 g/mol, XLogP of 21.39, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide;N-[4-[2-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 159915447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).