4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol

C108H134F15N13O6 — CID 158835997

IUPAC4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESCC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncc(C(F)(F)F)cn2)c1O.CC(C)(C)c1cc(CN2CCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1cc(CN2CCCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CN1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1
InChIInChI=1S/C23H28F3N3O2.C22H28F3N3O.C22H27F3N2O.C21H25F3N2O.C20H26F3N3O/c1-15(30)29-9-7-28(8-10-29)14-17-11-18(22(2,3)4)12-19(21(17)31)16-5-6-20(27-13-16)23(24,25)26;1-21(2,3)17-11-16(14-28-9-7-27(4)8-10-28)20(29)18(12-17)15-5-6-19(26-13-15)22(23,24)25;1-21(2,3)17-11-16(14-27-9-5-4-6-10-27)20(28)18(12-17)15-7-8-19(26-13-15)22(23,24)25;1-20(2,3)16-10-15(13-26-8-4-5-9-26)19(27)17(11-16)14-6-7-18(25-12-14)21(22,23)24;1-18(2,3)13-7-12(9-26-19(4,5)6)16(27)15(8-13)17-24-10-14(11-25-17)20(21,22)23/h5-6,11-13,31H,7-10,14H2,1-4H3;5-6,11-13,29H,7-10,14H2,1-4H3;7-8,11-13,28H,4-6,9-10,14H2,1-3H3;6-7,10-12,27H,4-5,8-9,13H2,1-3H3;7-8,10-11,26-27H,9H2,1-6H3
InChIKeyIXQKVBCAMJEWGN-UHFFFAOYSA-N
MW1995.31 g/mol
LogP25.13
Rot. Bonds15

About 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol

4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol (PubChem CID 158835997) has the molecular formula C108H134F15N13O6 and a molecular weight of 1995.31 g/mol. Its IUPAC name is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
PubChem CID158835997
Molecular FormulaC108H134F15N13O6
Molecular Weight1995.31 g/mol
Exact Mass1994.03
IUPAC Name4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESCC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncc(C(F)(F)F)cn2)c1O.CC(C)(C)c1cc(CN2CCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1cc(CN2CCCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CN1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1
InChIInChI=1S/C23H28F3N3O2.C22H28F3N3O.C22H27F3N2O.C21H25F3N2O.C20H26F3N3O/c1-15(30)29-9-7-28(8-10-29)14-17-11-18(22(2,3)4)12-19(21(17)31)16-5-6-20(27-13-16)23(24,25)26;1-21(2,3)17-11-16(14-28-9-7-27(4)8-10-28)20(29)18(12-17)15-5-6-19(26-13-15)22(23,24)25;1-21(2,3)17-11-16(14-27-9-5-4-6-10-27)20(28)18(12-17)15-7-8-19(26-13-15)22(23,24)25;1-20(2,3)16-10-15(13-26-8-4-5-9-26)19(27)17(11-16)14-6-7-18(25-12-14)21(22,23)24;1-18(2,3)13-7-12(9-26-19(4,5)6)16(27)15(8-13)17-24-10-14(11-25-17)20(21,22)23/h5-6,11-13,31H,7-10,14H2,1-4H3;5-6,11-13,29H,7-10,14H2,1-4H3;7-8,11-13,28H,4-6,9-10,14H2,1-3H3;6-7,10-12,27H,4-5,8-9,13H2,1-3H3;7-8,10-11,26-27H,9H2,1-6H3
InChIKeyIXQKVBCAMJEWGN-UHFFFAOYSA-N
XLogP25.13
TPSA227.03 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001995.31
LogP ≤ 525.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol with MolForge

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Related Compounds

6-(2-(4-(aminomethyl)piperidin-1-yl)pyrimidin-4-yl)naphthalen-2-ol 2,2,2-trifluoro-N-((1-(4-(6-hydroxynaphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
CID 136346728
(3aR,7aS)-5-(4-naphthalen-2-ylpyrimidin-2-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2,2,2-trifluoro-N-[[1-[4-(6-hydroxynaphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]acetamide
CID 136404146
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]phenol;4-tert-butyl-2-[[tert-butyl(methyl)amino]methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(diethylaminomethyl)-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-(morpholin-4-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[(propan-2-ylamino)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 157257630
2-(Aminomethyl)-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(1-aminopropan-2-ylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 157400909
1-[4-(4-Butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(3,5-dimethylphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-hydroxyphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-piperazin-1-yl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158348825
4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
CID 158473172
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol
CID 158508975
2-[(3-Aminopropylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(tert-butylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[2-(diethylamino)ethylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[5-(diethylamino)pentan-2-ylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(diethylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 159622790
2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 159757880
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
CID 160855374
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 167594360

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol (CID 158835997) is 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol is CC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1.CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ncc(C(F)(F)F)cn2)c1O.CC(C)(C)c1cc(CN2CCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1cc(CN2CCCCC2)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.CN1CCN(Cc2cc(C(C)(C)C)cc(-c3ccc(C(F)(F)F)nc3)c2O)CC1.
What is the InChIKey of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The InChIKey is IXQKVBCAMJEWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2.C22H28F3N3O.C22H27F3N2O.C21H25F3N2O.C20H26F3N3O/c1-15(30)29-9-7-28(8-10-29)14-17-11-18(22(2,3)4)12-19(21(17)31)16-5-6-20(27-13-16)23(24,25)26;1-21(2,3)17-11-16(14-28-9-7-27(4)8-10-28)20(29)18(12-17)15-5-6-19(26-13-15)22(23,24)25;1-21(2,3)17-11-16(14-27-9-5-4-6-10-27)20(28)18(12-17)15-7-8-19(26-13-15)22(23,24)25;1-20(2,3)16-10-15(13-26-8-4-5-9-26)19(27)17(11-16)14-6-7-18(25-12-14)21(22,23)24;1-18(2,3)13-7-12(9-26-19(4,5)6)16(27)15(8-13)17-24-10-14(11-25-17)20(21,22)23/h5-6,11-13,31H,7-10,14H2,1-4H3;5-6,11-13,29H,7-10,14H2,1-4H3;7-8,11-13,28H,4-6,9-10,14H2,1-3H3;6-7,10-12,27H,4-5,8-9,13H2,1-3H3;7-8,10-11,26-27H,9H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol?
4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol has a molecular weight of 1995.31 g/mol, XLogP of 25.13, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol is sourced from PubChem (CID 158835997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).