About [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
[6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (PubChem CID 160754149) has the molecular formula C160H197Cl5F15N23O14
and a molecular weight of 3128.72 g/mol. Its IUPAC name is [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The IUPAC name of [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone (CID 160754149) is [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone.
What is the SMILES notation for [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The canonical SMILES for [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is COC1CCCCC1NC1CCN(C(=O)c2ncnc(Cc3ccc4ccccc4c3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)nc(C(F)(F)F)n2)CC1.CO[C@H]1CCCC[C@H]1CC1CCN(C(=O)c2ncnc(Cc3ccc(Cl)c(C(F)(F)F)c3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2cc(Cc3cccc(C(F)(F)F)c3)nc(C(F)(F)F)n2)CC1.COc1nc(Cc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N[C@@H]3CCCC[C@@H]3OC)CC2)n1.COc1nc(Cc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.
What is the InChIKey of [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
The InChIKey is RXFBCRJAZQEQFY-LGGUZZJZSA-N. The full InChI is InChI=1S/C29H36N4O2.C27H33ClF3N3O2.2C26H34Cl2N4O3.2C26H30F6N4O2/c1-20-26(18-21-11-12-22-7-3-4-8-23(22)17-21)30-19-31-28(20)29(34)33-15-13-24(14-16-33)32-25-9-5-6-10-27(25)35-2;1-17-23(15-19-7-8-22(28)21(14-19)27(29,30)31)32-16-33-25(17)26(35)34-11-9-18(10-12-34)13-20-5-3-4-6-24(20)36-2;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;2*1-38-22-8-3-2-7-20(22)33-18-9-11-36(12-10-18)23(37)21-15-19(34-24(35-21)26(30,31)32)14-16-5-4-6-17(13-16)25(27,28)29/h3-4,7-8,11-12,17,19,24-25,27,32H,5-6,9-10,13-16,18H2,1-2H3;7-8,14,16,18,20,24H,3-6,9-13,15H2,1-2H3;2*8-9,14,18,21,23,29H,4-7,10-13,15H2,1-3H3;2*4-6,13,15,18,20,22,33H,2-3,7-12,14H2,1H3/t;20-,24-;2*21-,23+;2*20-,22+/m.01010/s1.
What are the key properties of [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone?
[6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone has a molecular weight of 3128.72 g/mol, XLogP of 31.38, 38 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[[(1S,2S)-2-methoxycyclohexyl]methyl]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-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;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-(naphthalen-2-ylmethyl)pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 160754149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).