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

C125H152Cl10F8N20O10 — CID 161078386

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

[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone (PubChem CID 161078386) has the molecular formula C125H152Cl10F8N20O10 and a molecular weight of 2601.23 g/mol. Its IUPAC name is [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone
• PubChem CID: 161078386
• Molecular Formula: C125H152Cl10F8N20O10
• Molecular Weight: 2601.23 g/mol
• Exact Mass: 2594.88
• IUPAC Name: [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone
• SMILES: CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.COc1nc(Cc2ccc(Cl)c(Cl)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(N[C@@H]2CCCC[C@@H]2F)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1
• InChI: InChI=1S/2C26H31Cl2F3N4O2.C26H34Cl2N4O3.C24H29Cl2FN4O.C23H27Cl2FN4O2/c2*1-15-21(14-16-7-8-18(27)19(28)13-16)33-25(26(29,30)31)34-23(15)24(36)35-11-9-17(10-12-35)32-20-5-3-4-6-22(20)37-2;1-16-22(15-17-8-9-19(27)20(28)14-17)30-26(35-3)31-24(16)25(33)32-12-10-18(11-13-32)29-21-6-4-5-7-23(21)34-2;1-15-22(13-16-6-7-18(25)19(26)12-16)28-14-29-23(15)24(32)31-10-8-17(9-11-31)30-21-5-3-2-4-20(21)27;1-14-21(11-15-2-3-17(24)18(25)10-15)27-13-28-22(14)23(31)30-7-4-16(5-8-30)29-20-6-9-32-12-19(20)26/h2*7-8,13,17,20,22,32H,3-6,9-12,14H2,1-2H3;8-9,14,18,21,23,29H,4-7,10-13,15H2,1-3H3;6-7,12,14,17,20-21,30H,2-5,8-11,13H2,1H3;2-3,10,13,16,19-20,29H,4-9,11-12H2,1H3/t2*20-,22+;21-,23+;20-,21+;19-,20+/m10101/s1
• InChIKey: UFOVNLDAXHIHKU-ZWFAFHBGSA-N
• XLogP: 25.71
• TPSA: 336.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2601.23
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone (CID 161078386) is [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone.

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

The canonical SMILES for [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone is CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.COc1nc(Cc2ccc(Cl)c(Cl)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(N[C@@H]2CCCC[C@@H]2F)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1.

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

The InChIKey is UFOVNLDAXHIHKU-ZWFAFHBGSA-N. The full InChI is InChI=1S/2C26H31Cl2F3N4O2.C26H34Cl2N4O3.C24H29Cl2FN4O.C23H27Cl2FN4O2/c2*1-15-21(14-16-7-8-18(27)19(28)13-16)33-25(26(29,30)31)34-23(15)24(36)35-11-9-17(10-12-35)32-20-5-3-4-6-22(20)37-2;1-16-22(15-17-8-9-19(27)20(28)14-17)30-26(35-3)31-24(16)25(33)32-12-10-18(11-13-32)29-21-6-4-5-7-23(21)34-2;1-15-22(13-16-6-7-18(25)19(26)12-16)28-14-29-23(15)24(32)31-10-8-17(9-11-31)30-21-5-3-2-4-20(21)27;1-14-21(11-15-2-3-17(24)18(25)10-15)27-13-28-22(14)23(31)30-7-4-16(5-8-30)29-20-6-9-32-12-19(20)26/h2*7-8,13,17,20,22,32H,3-6,9-12,14H2,1-2H3;8-9,14,18,21,23,29H,4-7,10-13,15H2,1-3H3;6-7,12,14,17,20-21,30H,2-5,8-11,13H2,1H3;2-3,10,13,16,19-20,29H,4-9,11-12H2,1H3/t2*20-,22+;21-,23+;20-,21+;19-,20+/m10101/s1.

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

[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone has a molecular weight of 2601.23 g/mol, XLogP of 25.71, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 161078386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).