N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone

C158H216ClF4N31O13S — CID 159691551

About N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone

N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone (PubChem CID 159691551) has the molecular formula C158H216ClF4N31O13S and a molecular weight of 2901.18 g/mol. Its IUPAC name is N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone.

Molecular Properties

• Compound Name: N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
• PubChem CID: 159691551
• Molecular Formula: C158H216ClF4N31O13S
• Molecular Weight: 2901.18 g/mol
• Exact Mass: 2898.65
• IUPAC Name: N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
• SMILES: CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(C)c(Cl)c4)c3C)CC2)CC1.Cc1c(CC2CCC(c3ccccc3)CC2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2CCN(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2Cc3ccccc3C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2F)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1ccc(CNc2ncnc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2C)cc1C
• InChI: InChI=1S/C29H40N4O2.C27H39ClN6O3S.C27H38N6O2.C26H35N5O2.C25H35N5O2.C24H29F4N5O2/c1-21-27(19-22-7-9-24(10-8-22)23-5-3-2-4-6-23)30-20-31-28(21)29(35)33-15-11-25(12-16-33)32-17-13-26(34)14-18-32;1-5-38(36,37)32(4)22-8-12-33(13-9-22)23-10-14-34(15-11-23)27(35)25-20(3)26(31-18-30-25)29-17-21-7-6-19(2)24(28)16-21;1-20-25(27(35)32-13-8-23(9-14-32)31-15-10-24(34)11-16-31)29-19-30-26(20)28-17-21-7-12-33(18-21)22-5-3-2-4-6-22;1-18-24(26(33)31-10-6-22(7-11-31)30-12-8-23(32)9-13-30)28-17-29-25(18)27-16-19-14-20-4-2-3-5-21(20)15-19;1-17-4-5-20(14-18(17)2)15-26-24-19(3)23(27-16-28-24)25(32)30-10-6-21(7-11-30)29-12-8-22(31)9-13-29;1-15-21(23(35)33-8-4-18(5-9-33)32-10-6-19(34)7-11-32)30-14-31-22(15)29-13-16-2-3-17(12-20(16)25)24(26,27)28/h2-6,20,22,24-26,34H,7-19H2,1H3;6-7,16,18,22-23H,5,8-15,17H2,1-4H3,(H,29,30,31);2-6,19,21,23-24,34H,7-18H2,1H3,(H,28,29,30);2-5,17,19,22-23,32H,6-16H2,1H3,(H,27,28,29);4-5,14,16,21-22,31H,6-13,15H2,1-3H3,(H,26,27,28);2-3,12,14,18-19,34H,4-11,13H2,1H3,(H,29,30,31)
• InChIKey: MWMBVMMWVQXAAJ-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 497.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.18
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?

The IUPAC name of N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone (CID 159691551) is N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone.

What is the SMILES notation for N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?

The canonical SMILES for N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone is CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(C)c(Cl)c4)c3C)CC2)CC1.Cc1c(CC2CCC(c3ccccc3)CC2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2CCN(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2Cc3ccccc3C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2F)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1ccc(CNc2ncnc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2C)cc1C.

What is the InChIKey of N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?

The InChIKey is MWMBVMMWVQXAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2.C27H39ClN6O3S.C27H38N6O2.C26H35N5O2.C25H35N5O2.C24H29F4N5O2/c1-21-27(19-22-7-9-24(10-8-22)23-5-3-2-4-6-23)30-20-31-28(21)29(35)33-15-11-25(12-16-33)32-17-13-26(34)14-18-32;1-5-38(36,37)32(4)22-8-12-33(13-9-22)23-10-14-34(15-11-23)27(35)25-20(3)26(31-18-30-25)29-17-21-7-6-19(2)24(28)16-21;1-20-25(27(35)32-13-8-23(9-14-32)31-15-10-24(34)11-16-31)29-19-30-26(20)28-17-21-7-12-33(18-21)22-5-3-2-4-6-22;1-18-24(26(33)31-10-6-22(7-11-31)30-12-8-23(32)9-13-30)28-17-29-25(18)27-16-19-14-20-4-2-3-5-21(20)15-19;1-17-4-5-20(14-18(17)2)15-26-24-19(3)23(27-16-28-24)25(32)30-10-6-21(7-11-30)29-12-8-22(31)9-13-29;1-15-21(23(35)33-8-4-18(5-9-33)32-10-6-19(34)7-11-32)30-14-31-22(15)29-13-16-2-3-17(12-20(16)25)24(26,27)28/h2-6,20,22,24-26,34H,7-19H2,1H3;6-7,16,18,22-23H,5,8-15,17H2,1-4H3,(H,29,30,31);2-6,19,21,23-24,34H,7-18H2,1H3,(H,28,29,30);2-5,17,19,22-23,32H,6-16H2,1H3,(H,27,28,29);4-5,14,16,21-22,31H,6-13,15H2,1-3H3,(H,26,27,28);2-3,12,14,18-19,34H,4-11,13H2,1H3,(H,29,30,31).

What are the key properties of N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?

N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone has a molecular weight of 2901.18 g/mol, XLogP of 20.22, 34 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 159691551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).