[6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C106H137Cl6N21O9S — CID 157162061

About [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

[6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 157162061) has the molecular formula C106H137Cl6N21O9S and a molecular weight of 2094.18 g/mol. Its IUPAC name is [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
• PubChem CID: 157162061
• Molecular Formula: C106H137Cl6N21O9S
• Molecular Weight: 2094.18 g/mol
• Exact Mass: 2089.88
• IUPAC Name: [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
• SMILES: CCc1c(NCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCOCC2)CC1.CCc1c(NCc2cccc(-c3ccccc3)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCN(C(=O)C(C)C)CC2)CC1.Cc1c(NCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1
• InChI: InChI=1S/C30H37N5O2.C28H37Cl2N5O2.C24H32Cl2N6O3S.C24H31Cl2N5O2/c1-2-27-28(30(37)35-15-11-25(12-16-35)34-17-13-26(36)14-18-34)32-21-33-29(27)31-20-22-7-6-10-24(19-22)23-8-4-3-5-9-23;1-19(2)27(36)35-15-13-33(14-16-35)22-9-11-34(12-10-22)28(37)26-20(3)25(31-18-32-26)6-4-5-21-7-8-23(29)24(30)17-21;1-17-22(28-16-29-23(17)27-8-5-18-3-4-20(25)21(26)15-18)24(33)31-9-6-19(7-10-31)30-11-13-32(14-12-30)36(2,34)35;1-2-19-22(24(32)31-9-6-18(7-10-31)30-11-13-33-14-12-30)28-16-29-23(19)27-8-5-17-3-4-20(25)21(26)15-17/h3-10,19,21,25-26,36H,2,11-18,20H2,1H3,(H,31,32,33);7-8,17-19,22H,4-6,9-16H2,1-3H3;3-4,15-16,19H,5-14H2,1-2H3,(H,27,28,29);3-4,15-16,18H,2,5-14H2,1H3,(H,27,28,29)
• InChIKey: AMMLRFDATPKZRL-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 320.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.18
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?

The IUPAC name of [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 157162061) is [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?

The canonical SMILES for [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is CCc1c(NCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCOCC2)CC1.CCc1c(NCc2cccc(-c3ccccc3)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCN(C(=O)C(C)C)CC2)CC1.Cc1c(NCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.

What is the InChIKey of [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?

The InChIKey is AMMLRFDATPKZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2.C28H37Cl2N5O2.C24H32Cl2N6O3S.C24H31Cl2N5O2/c1-2-27-28(30(37)35-15-11-25(12-16-35)34-17-13-26(36)14-18-34)32-21-33-29(27)31-20-22-7-6-10-24(19-22)23-8-4-3-5-9-23;1-19(2)27(36)35-15-13-33(14-16-35)22-9-11-34(12-10-22)28(37)26-20(3)25(31-18-32-26)6-4-5-21-7-8-23(29)24(30)17-21;1-17-22(28-16-29-23(17)27-8-5-18-3-4-20(25)21(26)15-18)24(33)31-9-6-19(7-10-31)30-11-13-32(14-12-30)36(2,34)35;1-2-19-22(24(32)31-9-6-18(7-10-31)30-11-13-33-14-12-30)28-16-29-23(19)27-8-5-17-3-4-20(25)21(26)15-17/h3-10,19,21,25-26,36H,2,11-18,20H2,1H3,(H,31,32,33);7-8,17-19,22H,4-6,9-16H2,1-3H3;3-4,15-16,19H,5-14H2,1-2H3,(H,27,28,29);3-4,15-16,18H,2,5-14H2,1H3,(H,27,28,29).

What are the key properties of [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?

[6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 2094.18 g/mol, XLogP of 15.92, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(3,4-dichlorophenyl)ethylamino]-5-ethylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidin-4-yl]-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methanone;1-[4-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;[5-ethyl-6-[(3-phenylphenyl)methylamino]pyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 157162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).