2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

C104H161F4N21O7 — CID 159380377

IUPAC2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)c1cc(NC2CCN(C(=O)C3CC3)CC2)ncn1.CC(C)(C)c1cc(NC2CCN(C(=O)C3CCC3)CC2)ncn1.CC(C)(C)c1ccnc(OCCNCC(F)(F)F)c1.CC(C)(C)c1ncnc(CC2COC2)c1F.CC(C)C(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.C15H24N4O.C13H19F3N2O.C13H21NO.C12H17FN2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-7-9-22(10-8-14)17(23)13-5-4-6-13;1-17(2,3)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)12-4-5-12;1-11(2)6-15(21)20-8-12(9-20)19-14-7-13(16(3,4)5)17-10-18-14;1-10(2)14(20)19-7-11(8-19)18-13-6-12(15(3,4)5)16-9-17-13;1-12(2,3)10-4-5-18-11(8-10)19-7-6-17-9-13(14,15)16;1-5-6-9-15-12-10-11(7-8-14-12)13(2,3)4;1-12(2,3)11-10(13)9(14-7-15-11)4-8-5-16-6-8/h11-14H,4-10H2,1-3H3,(H,19,20,21);10-13H,4-9H2,1-3H3,(H,18,19,20);7,10-12H,6,8-9H2,1-5H3,(H,17,18,19);6,9-11H,7-8H2,1-5H3,(H,16,17,18);4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyLKVFOULLBPSFGG-UHFFFAOYSA-N
MW1893.56 g/mol
LogP18.63
Rot. Bonds24

About 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 159380377) has the molecular formula C104H161F4N21O7 and a molecular weight of 1893.56 g/mol. Its IUPAC name is 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID159380377
Molecular FormulaC104H161F4N21O7
Molecular Weight1893.56 g/mol
Exact Mass1892.28
IUPAC Name2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)c1cc(NC2CCN(C(=O)C3CC3)CC2)ncn1.CC(C)(C)c1cc(NC2CCN(C(=O)C3CCC3)CC2)ncn1.CC(C)(C)c1ccnc(OCCNCC(F)(F)F)c1.CC(C)(C)c1ncnc(CC2COC2)c1F.CC(C)C(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.C15H24N4O.C13H19F3N2O.C13H21NO.C12H17FN2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-7-9-22(10-8-14)17(23)13-5-4-6-13;1-17(2,3)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)12-4-5-12;1-11(2)6-15(21)20-8-12(9-20)19-14-7-13(16(3,4)5)17-10-18-14;1-10(2)14(20)19-7-11(8-19)18-13-6-12(15(3,4)5)16-9-17-13;1-12(2,3)10-4-5-18-11(8-10)19-7-6-17-9-13(14,15)16;1-5-6-9-15-12-10-11(7-8-14-12)13(2,3)4;1-12(2,3)11-10(13)9(14-7-15-11)4-8-5-16-6-8/h11-14H,4-10H2,1-3H3,(H,19,20,21);10-13H,4-9H2,1-3H3,(H,18,19,20);7,10-12H,6,8-9H2,1-5H3,(H,17,18,19);6,9-11H,7-8H2,1-5H3,(H,16,17,18);4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyLKVFOULLBPSFGG-UHFFFAOYSA-N
XLogP18.63
TPSA323.76 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.56
LogP ≤ 518.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

1-[4-[5-[[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridin-2-yl]oxypiperidin-1-yl]ethanone
CID 59507969
1-[3-[2-[3-(5-Fluoropyridin-2-yl)oxyazetidin-1-yl]ethyl]pyridin-2-yl]piperidin-2-one;1-[3-[2-[3-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-1-yl]ethyl]pyridin-2-yl]piperidin-2-one
CID 89500472
4-[5-[1-[(1-acetylpiperidin-4-yl)amino]-2-[6-(trifluoromethyl)pyridin-2-yl]oxyethyl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378095
1-[4-[[1-[4-[1-[1-(2,6-Difluoroanilino)ethenyl]piperidin-4-yl]-2-methylpyrimidin-5-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]amino]piperidin-1-yl]ethanone
CID 144611147
N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 157065186
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine;1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;tetrakis(2-methylpropane);3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 157366231
6-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2,2-dimethylpropanoyl)azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(methylamino)ethoxy]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(2,2,2-trifluoroethylamino)ethoxy]pyridine-4-carboxamide
CID 157378759
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 157448005
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine;1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;tetrakis(2-methylpropane);3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 157818126
4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[(3S)-oxolan-3-yl]oxypyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 157856859
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;6-tert-butyl-N-(4-methoxycyclohexyl)-N-methylpyrimidin-4-amine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;5-tert-butyl-3-piperidin-4-yloxypyridazine;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-piperidin-1-ylmethanone;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 157992030

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (CID 159380377) is 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C)c1cc(NC2CCN(C(=O)C3CC3)CC2)ncn1.CC(C)(C)c1cc(NC2CCN(C(=O)C3CCC3)CC2)ncn1.CC(C)(C)c1ccnc(OCCNCC(F)(F)F)c1.CC(C)(C)c1ncnc(CC2COC2)c1F.CC(C)C(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CC(C)CC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is LKVFOULLBPSFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.C15H24N4O.C13H19F3N2O.C13H21NO.C12H17FN2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-7-9-22(10-8-14)17(23)13-5-4-6-13;1-17(2,3)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)12-4-5-12;1-11(2)6-15(21)20-8-12(9-20)19-14-7-13(16(3,4)5)17-10-18-14;1-10(2)14(20)19-7-11(8-19)18-13-6-12(15(3,4)5)16-9-17-13;1-12(2,3)10-4-5-18-11(8-10)19-7-6-17-9-13(14,15)16;1-5-6-9-15-12-10-11(7-8-14-12)13(2,3)4;1-12(2,3)11-10(13)9(14-7-15-11)4-8-5-16-6-8/h11-14H,4-10H2,1-3H3,(H,19,20,21);10-13H,4-9H2,1-3H3,(H,18,19,20);7,10-12H,6,8-9H2,1-5H3,(H,17,18,19);6,9-11H,7-8H2,1-5H3,(H,16,17,18);4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-8H,4-6H2,1-3H3.
What are the key properties of 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 1893.56 g/mol, XLogP of 18.63, 24 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 159380377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).