2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone

C120H142Cl10F3N23O7 — CID 157118588

About 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone

2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone (PubChem CID 157118588) has the molecular formula C120H142Cl10F3N23O7 and a molecular weight of 2430.13 g/mol. Its IUPAC name is 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone
• PubChem CID: 157118588
• Molecular Formula: C120H142Cl10F3N23O7
• Molecular Weight: 2430.13 g/mol
• Exact Mass: 2423.83
• IUPAC Name: 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone
• SMILES: CN(CC1(C)COC1)C1CCN(C(=O)c2ncncc2CNCc2ccc(Cl)c(Cl)c2)CC1.COCCN(C)C1CCN(C(=O)c2ncncc2CNCc2ccc(Cl)c(Cl)c2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N(C)CC#N)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(C(F)(F)F)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2Cc3ccccc3C2)CC1
• InChI: InChI=1S/C27H28Cl2N4O.C25H29Cl2F3N4O.C24H31Cl2N5O2.C22H29Cl2N5O2.C22H25Cl2N5O/c1-18-25(9-7-19-6-8-23(28)24(29)14-19)30-17-31-26(18)27(34)32-12-10-22(11-13-32)33-15-20-4-2-3-5-21(20)16-33;1-16-22(5-3-17-2-4-20(26)21(27)14-17)31-15-32-23(16)24(35)34-12-8-19(9-13-34)33-10-6-18(7-11-33)25(28,29)30;1-24(14-33-15-24)13-30(2)19-5-7-31(8-6-19)23(32)22-18(12-28-16-29-22)11-27-10-17-3-4-20(25)21(26)9-17;1-28(9-10-31-2)18-5-7-29(8-6-18)22(30)21-17(14-26-15-27-21)13-25-12-16-3-4-19(23)20(24)11-16;1-15-20(6-4-16-3-5-18(23)19(24)13-16)26-14-27-21(15)22(30)29-10-7-17(8-11-29)28(2)12-9-25/h2-6,8,14,17,22H,7,9-13,15-16H2,1H3;2,4,14-15,18-19H,3,5-13H2,1H3;3-4,9,12,16,19,27H,5-8,10-11,13-15H2,1-2H3;3-4,11,14-15,18,25H,5-10,12-13H2,1-2H3;3,5,13-14,17H,4,6-8,10-12H2,1-2H3
• InChIKey: AHROXMPAAHGDBK-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 312.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.13
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone?

The IUPAC name of 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone (CID 157118588) is 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone.

What is the SMILES notation for 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone?

The canonical SMILES for 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone is CN(CC1(C)COC1)C1CCN(C(=O)c2ncncc2CNCc2ccc(Cl)c(Cl)c2)CC1.COCCN(C)C1CCN(C(=O)c2ncncc2CNCc2ccc(Cl)c(Cl)c2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N(C)CC#N)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(C(F)(F)F)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2Cc3ccccc3C2)CC1.

What is the InChIKey of 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone?

The InChIKey is AHROXMPAAHGDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O.C25H29Cl2F3N4O.C24H31Cl2N5O2.C22H29Cl2N5O2.C22H25Cl2N5O/c1-18-25(9-7-19-6-8-23(28)24(29)14-19)30-17-31-26(18)27(34)32-12-10-22(11-13-32)33-15-20-4-2-3-5-21(20)16-33;1-16-22(5-3-17-2-4-20(26)21(27)14-17)31-15-32-23(16)24(35)34-12-8-19(9-13-34)33-10-6-18(7-11-33)25(28,29)30;1-24(14-33-15-24)13-30(2)19-5-7-31(8-6-19)23(32)22-18(12-28-16-29-22)11-27-10-17-3-4-20(25)21(26)9-17;1-28(9-10-31-2)18-5-7-29(8-6-18)22(30)21-17(14-26-15-27-21)13-25-12-16-3-4-19(23)20(24)11-16;1-15-20(6-4-16-3-5-18(23)19(24)13-16)26-14-27-21(15)22(30)29-10-7-17(8-11-29)28(2)12-9-25/h2-6,8,14,17,22H,7,9-13,15-16H2,1H3;2,4,14-15,18-19H,3,5-13H2,1H3;3-4,9,12,16,19,27H,5-8,10-11,13-15H2,1-2H3;3-4,11,14-15,18,25H,5-10,12-13H2,1-2H3;3,5,13-14,17H,4,6-8,10-12H2,1-2H3.

What are the key properties of 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone?

2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone has a molecular weight of 2430.13 g/mol, XLogP of 22.09, 33 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-methylamino]acetonitrile;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[2-methoxyethyl(methyl)amino]piperidin-1-yl]methanone;[5-[[(3,4-dichlorophenyl)methylamino]methyl]pyrimidin-4-yl]-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 157118588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).