4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone

C131H129Cl5N28O9S — CID 157285947

About 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone (PubChem CID 157285947) has the molecular formula C131H129Cl5N28O9S and a molecular weight of 2448.99 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
• PubChem CID: 157285947
• Molecular Formula: C131H129Cl5N28O9S
• Molecular Weight: 2448.99 g/mol
• Exact Mass: 2444.87
• IUPAC Name: 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1.CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCCCO)cc4)n3)cc2)CC1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCN1CCCCC1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCNCC1
• InChI: InChI=1S/C26H29N5O3S.C25H28ClN5O.C23H22ClN5O2.C21H20ClN5O.C19H17ClN4O.C17H13ClN4O/c1-19(33)30-13-15-31(16-14-30)25(34)21-3-7-22(8-4-21)28-26-27-12-11-24(29-26)20-5-9-23(10-6-20)35-18-2-17-32;26-21-9-5-19(6-10-21)23-13-15-28-25(30-23)29-22-11-7-20(8-12-22)24(32)27-14-4-18-31-16-2-1-3-17-31;1-16(30)28-12-14-29(15-13-28)22(31)18-4-8-20(9-5-18)26-23-25-11-10-21(27-23)17-2-6-19(24)7-3-17;22-17-5-1-15(2-6-17)19-9-10-24-21(26-19)25-18-7-3-16(4-8-18)20(28)27-13-11-23-12-14-27;1-24(2)18(25)14-5-9-16(10-6-14)22-19-21-12-11-17(23-19)13-3-7-15(20)8-4-13;18-13-5-1-11(2-6-13)15-9-10-20-17(22-15)21-14-7-3-12(4-8-14)16(19)23/h3-12,32H,2,13-18H2,1H3,(H,27,28,29);5-13,15H,1-4,14,16-18H2,(H,27,32)(H,28,29,30);2-11H,12-15H2,1H3,(H,25,26,27);1-10,23H,11-14H2,(H,24,25,26);3-12H,1-2H3,(H,21,22,23);1-10H,(H2,19,23)(H,20,21,22)
• InChIKey: BAFSOHXOQVLRND-UHFFFAOYSA-N
• XLogP: 24.13
• TPSA: 456.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.99
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone?

The IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone (CID 157285947) is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone?

The canonical SMILES for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1.CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCCCO)cc4)n3)cc2)CC1.CN(C)C(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.NC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(NCCCN1CCCCC1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCNCC1.

What is the InChIKey of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone?

The InChIKey is BAFSOHXOQVLRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S.C25H28ClN5O.C23H22ClN5O2.C21H20ClN5O.C19H17ClN4O.C17H13ClN4O/c1-19(33)30-13-15-31(16-14-30)25(34)21-3-7-22(8-4-21)28-26-27-12-11-24(29-26)20-5-9-23(10-6-20)35-18-2-17-32;26-21-9-5-19(6-10-21)23-13-15-28-25(30-23)29-22-11-7-20(8-12-22)24(32)27-14-4-18-31-16-2-1-3-17-31;1-16(30)28-12-14-29(15-13-28)22(31)18-4-8-20(9-5-18)26-23-25-11-10-21(27-23)17-2-6-19(24)7-3-17;22-17-5-1-15(2-6-17)19-9-10-24-21(26-19)25-18-7-3-16(4-8-18)20(28)27-13-11-23-12-14-27;1-24(2)18(25)14-5-9-16(10-6-14)22-19-21-12-11-17(23-19)13-3-7-15(20)8-4-13;18-13-5-1-11(2-6-13)15-9-10-20-17(22-15)21-14-7-3-12(4-8-14)16(19)23/h3-12,32H,2,13-18H2,1H3,(H,27,28,29);5-13,15H,1-4,14,16-18H2,(H,27,32)(H,28,29,30);2-11H,12-15H2,1H3,(H,25,26,27);1-10,23H,11-14H2,(H,24,25,26);3-12H,1-2H3,(H,21,22,23);1-10H,(H2,19,23)(H,20,21,22).

What are the key properties of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone?

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 2448.99 g/mol, XLogP of 24.13, 32 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157285947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).