2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine

C200H299F4N11O8 — CID 161235970

IUPAC2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1cccc(N2CCC(F)C2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(OC[C@@H](O)CO)c1.CC(C)c1cccc(OC[C@H](O)CO)c1.CC1CCCC(C(C)C)C1.CC1CCCN(C(C)C)C1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C14H18F3N.C13H18FN.C13H19N.2C12H18O3.C11H17N.C11H16.C10H20.5C10H14.C9H14N2O2.4C9H13N.C9H19N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17;1-10(2)11-4-3-5-13(8-11)15-7-6-12(14)9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;2*1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;6*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-5-10-9(13-4)11-8(7)12-3;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-5-9(3)7-10/h3-5,8,10,12H,6-7,9H2,1-2H3;3-5,8,10,12H,6-7,9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*3-6,9,11,13-14H,7-8H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;8-10H,4-7H2,1-3H3;5*4-8H,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;8-9H,4-7H2,1-3H3/t;;;2*11-;;;;;;;;;;;;;;/m...10............../s1
InChIKeyUZJKCKLTLLLMJJ-FJGMFHONSA-N
MW3061.65 g/mol
LogP53.16
Rot. Bonds34

About 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine

2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 161235970) has the molecular formula C200H299F4N11O8 and a molecular weight of 3061.65 g/mol. Its IUPAC name is 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID161235970
Molecular FormulaC200H299F4N11O8
Molecular Weight3061.65 g/mol
Exact Mass3059.33
IUPAC Name2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1cccc(N2CCC(F)C2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(OC[C@@H](O)CO)c1.CC(C)c1cccc(OC[C@H](O)CO)c1.CC1CCCC(C(C)C)C1.CC1CCCN(C(C)C)C1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C14H18F3N.C13H18FN.C13H19N.2C12H18O3.C11H17N.C11H16.C10H20.5C10H14.C9H14N2O2.4C9H13N.C9H19N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17;1-10(2)11-4-3-5-13(8-11)15-7-6-12(14)9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;2*1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;6*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-5-10-9(13-4)11-8(7)12-3;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-5-9(3)7-10/h3-5,8,10,12H,6-7,9H2,1-2H3;3-5,8,10,12H,6-7,9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*3-6,9,11,13-14H,7-8H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;8-10H,4-7H2,1-3H3;5*4-8H,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;8-9H,4-7H2,1-3H3/t;;;2*11-;;;;;;;;;;;;;;/m...10............../s1
InChIKeyUZJKCKLTLLLMJJ-FJGMFHONSA-N
XLogP53.16
TPSA211.38 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.65
LogP ≤ 553.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158191902
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 158788602
2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 158925171
2,7-Bis[[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-7-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))
CID 159097076
1-[Benzyl(pyrimidin-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(cyclohexylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[bis(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167535827
4-[5-(4-Fluorophenyl)-3-(1-phenoxypropan-2-yl)imidazol-4-yl]-2-phenoxypyrimidine;2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]butan-1-ol;2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]-3-phenylpropan-1-ol
CID 88207051
2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;bis(3-methyl-1-(3-propan-2-ylphenyl)pyrrolidine);3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;1-(3-propan-2-ylphenyl)pyrrolidine
CID 157162191
1-[3-[4-(cyclohexylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-pyridin-4-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-phenylpyrimidin-2-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[5-methyl-4-[[(3R)-oxolan-3-yl]amino]-6-piperidin-1-ylpyrimidin-2-yl]phenoxy]propan-2-ol
CID 157439611
N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-6-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-3-pyridinyl)morpholine;1-[(2-propan-2-yl-4-pyridinyl)oxy]butan-2-ol;1-[(3-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-[(6-propan-2-yl-2-pyridinyl)oxy]propane-1,3-diol;3-[(5-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 157466055
(3S,4R,9E)-3-(3-fluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(phenylmethoxymethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-4-(3-fluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(phenylmethoxymethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;[(3R,4R,9E)-3-(3-fluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methanol;[(4S,9E)-3-(3-fluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methanol
CID 157690806
2-(Azetidin-1-ylmethyl)-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;2-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-ylpyridine;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-(3-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 157850166
2,7-Bis[[3-[[5-(2,6-dimethylphenyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));tris(platinum(2+))
CID 158088555

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine (CID 161235970) is 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine is CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1cccc(N2CCC(F)C2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(OC[C@@H](O)CO)c1.CC(C)c1cccc(OC[C@H](O)CO)c1.CC1CCCC(C(C)C)C1.CC1CCCN(C(C)C)C1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is UZJKCKLTLLLMJJ-FJGMFHONSA-N. The full InChI is InChI=1S/C14H18F3N.C13H18FN.C13H19N.2C12H18O3.C11H17N.C11H16.C10H20.5C10H14.C9H14N2O2.4C9H13N.C9H19N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17;1-10(2)11-4-3-5-13(8-11)15-7-6-12(14)9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;2*1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;6*1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-5-10-9(13-4)11-8(7)12-3;3*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-5-9(3)7-10/h3-5,8,10,12H,6-7,9H2,1-2H3;3-5,8,10,12H,6-7,9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*3-6,9,11,13-14H,7-8H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;8-10H,4-7H2,1-3H3;5*4-8H,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;8-9H,4-7H2,1-3H3/t;;;2*11-;;;;;;;;;;;;;;/m...10............../s1.
What are the key properties of 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 3061.65 g/mol, XLogP of 53.16, 34 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(3-propan-2-ylphenyl)pyrrolidine;pentakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;3-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 161235970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).