[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone

C101H127Cl4F7N16O9 — CID 161145935

About [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone

[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (PubChem CID 161145935) has the molecular formula C101H127Cl4F7N16O9 and a molecular weight of 1984.03 g/mol. Its IUPAC name is [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
• PubChem CID: 161145935
• Molecular Formula: C101H127Cl4F7N16O9
• Molecular Weight: 1984.03 g/mol
• Exact Mass: 1980.86
• IUPAC Name: [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
• SMILES: COc1nc(Cc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3)CC2)n1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3F)CC2)n1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.Cc1c(Cc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(NC2CCOCC2)CC1
• InChI: InChI=1S/C27H35F3N4O3.C26H32F4N4O2.C25H32Cl2N4O2.C23H28Cl2N4O2/c1-17-22(16-18-7-6-8-19(15-18)27(28,29)30)32-26(37-3)33-24(17)25(35)34-13-11-20(12-14-34)31-21-9-4-5-10-23(21)36-2;1-16-22(15-17-6-5-7-18(14-17)26(28,29)30)32-25(36-2)33-23(16)24(35)34-12-10-19(11-13-34)31-21-9-4-3-8-20(21)27;1-16-22(15-17-8-9-20(26)21(27)14-17)29-25(33-2)30-23(16)24(32)31-12-10-19(11-13-31)28-18-6-4-3-5-7-18;1-15-21(13-16-2-3-19(24)20(25)12-16)26-14-27-22(15)23(30)29-8-4-17(5-9-29)28-18-6-10-31-11-7-18/h6-8,15,20-21,23,31H,4-5,9-14,16H2,1-3H3;5-7,14,19-21,31H,3-4,8-13,15H2,1-2H3;8-9,14,18-19,28H,3-7,10-13,15H2,1-2H3;2-3,12,14,17-18,28H,4-11,13H2,1H3/t21-,23+;;;/m0.../s1
• InChIKey: UOAVSHDSWYHNAA-PIHBOMFQSA-N
• XLogP: 18.71
• TPSA: 278.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.03
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?

The IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (CID 161145935) is [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.

What is the SMILES notation for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?

The canonical SMILES for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is COc1nc(Cc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3)CC2)n1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3F)CC2)n1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.Cc1c(Cc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(NC2CCOCC2)CC1.

What is the InChIKey of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?

The InChIKey is UOAVSHDSWYHNAA-PIHBOMFQSA-N. The full InChI is InChI=1S/C27H35F3N4O3.C26H32F4N4O2.C25H32Cl2N4O2.C23H28Cl2N4O2/c1-17-22(16-18-7-6-8-19(15-18)27(28,29)30)32-26(37-3)33-24(17)25(35)34-13-11-20(12-14-34)31-21-9-4-5-10-23(21)36-2;1-16-22(15-17-6-5-7-18(14-17)26(28,29)30)32-25(36-2)33-23(16)24(35)34-12-10-19(11-13-34)31-21-9-4-3-8-20(21)27;1-16-22(15-17-8-9-20(26)21(27)14-17)29-25(33-2)30-23(16)24(32)31-12-10-19(11-13-31)28-18-6-4-3-5-7-18;1-15-21(13-16-2-3-19(24)20(25)12-16)26-14-27-22(15)23(30)29-8-4-17(5-9-29)28-18-6-10-31-11-7-18/h6-8,15,20-21,23,31H,4-5,9-14,16H2,1-3H3;5-7,14,19-21,31H,3-4,8-13,15H2,1-2H3;8-9,14,18-19,28H,3-7,10-13,15H2,1-2H3;2-3,12,14,17-18,28H,4-11,13H2,1H3/t21-,23+;;;/m0.../s1.

What are the key properties of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?

[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone has a molecular weight of 1984.03 g/mol, XLogP of 18.71, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 161145935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).