[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone

C150H193F16N29O13 — CID 161374622

IUPAC[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone
SMILESCc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2cccc(OC(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C28H40N4O2.2C25H32F3N5O2.C24H29F4N5O2.C24H30F3N5O3.C24H30F3N5O2/c1-20-25(10-7-21-5-8-22(9-6-21)28(2,3)4)29-19-30-26(20)27(34)32-15-11-23(12-16-32)31-17-13-24(33)14-18-31;1-17-22(24(35)33-12-7-20(8-13-33)32-14-9-21(34)10-15-32)30-16-31-23(17)29-11-6-18-2-4-19(5-3-18)25(26,27)28;1-17-22(24(35)33-11-6-20(7-12-33)32-13-8-21(34)9-14-32)30-16-31-23(17)29-10-5-18-3-2-4-19(15-18)25(26,27)28;1-15-21(23(35)33-8-4-17(5-9-33)32-10-6-18(34)7-11-32)30-14-31-22(15)29-13-16-2-3-19(20(25)12-16)24(26,27)28;1-16-21(23(34)32-9-5-18(6-10-32)31-11-7-19(33)8-12-31)29-15-30-22(16)28-14-17-3-2-4-20(13-17)35-24(25,26)27;1-16-21(23(34)32-10-6-19(7-11-32)31-12-8-20(33)9-13-31)29-15-30-22(16)28-14-17-2-4-18(5-3-17)24(25,26)27/h5-6,8-9,19,23-24,33H,7,10-18H2,1-4H3;2-5,16,20-21,34H,6-15H2,1H3,(H,29,30,31);2-4,15-16,20-21,34H,5-14H2,1H3,(H,29,30,31);2-3,12,14,17-18,34H,4-11,13H2,1H3,(H,29,30,31);2-4,13,15,18-19,33H,5-12,14H2,1H3,(H,28,29,30);2-5,15,19-20,33H,6-14H2,1H3,(H,28,29,30)
InChIKeyVQXHWHWOFFIOGQ-UHFFFAOYSA-N
MW2914.35 g/mol
LogP21.42
Rot. Bonds33

About [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone

[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone (PubChem CID 161374622) has the molecular formula C150H193F16N29O13 and a molecular weight of 2914.35 g/mol. Its IUPAC name is [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone
PubChem CID161374622
Molecular FormulaC150H193F16N29O13
Molecular Weight2914.35 g/mol
Exact Mass2912.51
IUPAC Name[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone
SMILESCc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2cccc(OC(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C28H40N4O2.2C25H32F3N5O2.C24H29F4N5O2.C24H30F3N5O3.C24H30F3N5O2/c1-20-25(10-7-21-5-8-22(9-6-21)28(2,3)4)29-19-30-26(20)27(34)32-15-11-23(12-16-32)31-17-13-24(33)14-18-31;1-17-22(24(35)33-12-7-20(8-13-33)32-14-9-21(34)10-15-32)30-16-31-23(17)29-11-6-18-2-4-19(5-3-18)25(26,27)28;1-17-22(24(35)33-11-6-20(7-12-33)32-13-8-21(34)9-14-32)30-16-31-23(17)29-10-5-18-3-2-4-19(15-18)25(26,27)28;1-15-21(23(35)33-8-4-17(5-9-33)32-10-6-18(34)7-11-32)30-14-31-22(15)29-13-16-2-3-19(20(25)12-16)24(26,27)28;1-16-21(23(34)32-9-5-18(6-10-32)31-11-7-19(33)8-12-31)29-15-30-22(16)28-14-17-3-2-4-20(13-17)35-24(25,26)27;1-16-21(23(34)32-10-6-19(7-11-32)31-12-8-20(33)9-13-31)29-15-30-22(16)28-14-17-2-4-18(5-3-17)24(25,26)27/h5-6,8-9,19,23-24,33H,7,10-18H2,1-4H3;2-5,16,20-21,34H,6-15H2,1H3,(H,29,30,31);2-4,15-16,20-21,34H,5-14H2,1H3,(H,29,30,31);2-3,12,14,17-18,34H,4-11,13H2,1H3,(H,29,30,31);2-4,13,15,18-19,33H,5-12,14H2,1H3,(H,28,29,30);2-5,15,19-20,33H,6-14H2,1H3,(H,28,29,30)
InChIKeyVQXHWHWOFFIOGQ-UHFFFAOYSA-N
XLogP21.42
TPSA486.74 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002914.35
LogP ≤ 521.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone?
The IUPAC name of [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone (CID 161374622) is [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone.
What is the SMILES notation for [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone?
The canonical SMILES for [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone is Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCCc2cccc(C(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2cccc(OC(F)(F)F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone?
The InChIKey is VQXHWHWOFFIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2.2C25H32F3N5O2.C24H29F4N5O2.C24H30F3N5O3.C24H30F3N5O2/c1-20-25(10-7-21-5-8-22(9-6-21)28(2,3)4)29-19-30-26(20)27(34)32-15-11-23(12-16-32)31-17-13-24(33)14-18-31;1-17-22(24(35)33-12-7-20(8-13-33)32-14-9-21(34)10-15-32)30-16-31-23(17)29-11-6-18-2-4-19(5-3-18)25(26,27)28;1-17-22(24(35)33-11-6-20(7-12-33)32-13-8-21(34)9-14-32)30-16-31-23(17)29-10-5-18-3-2-4-19(15-18)25(26,27)28;1-15-21(23(35)33-8-4-17(5-9-33)32-10-6-18(34)7-11-32)30-14-31-22(15)29-13-16-2-3-19(20(25)12-16)24(26,27)28;1-16-21(23(34)32-9-5-18(6-10-32)31-11-7-19(33)8-12-31)29-15-30-22(16)28-14-17-3-2-4-20(13-17)35-24(25,26)27;1-16-21(23(34)32-10-6-19(7-11-32)31-12-8-20(33)9-13-31)29-15-30-22(16)28-14-17-2-4-18(5-3-17)24(25,26)27/h5-6,8-9,19,23-24,33H,7,10-18H2,1-4H3;2-5,16,20-21,34H,6-15H2,1H3,(H,29,30,31);2-4,15-16,20-21,34H,5-14H2,1H3,(H,29,30,31);2-3,12,14,17-18,34H,4-11,13H2,1H3,(H,29,30,31);2-4,13,15,18-19,33H,5-12,14H2,1H3,(H,28,29,30);2-5,15,19-20,33H,6-14H2,1H3,(H,28,29,30).
What are the key properties of [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone?
[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone has a molecular weight of 2914.35 g/mol, XLogP of 21.42, 33 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[3-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-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 161374622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).