2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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

C134H210F4N28O8 — CID 158175991

IUPAC2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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.CC(C)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CCCC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.2C15H24N4O.C15H25N3.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;1-5-6-14(20)19-8-11(9-19)18-13-7-12(15(2,3)4)16-10-17-13;1-11(2)18-8-12(9-18)6-13-7-14(15(3,4)5)17-10-16-13;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);7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18);7,10-12H,6,8-9H2,1-5H3;4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyFXZUIGCEOHMOOQ-UHFFFAOYSA-N
MW2417.33 g/mol
LogP23.48
Rot. Bonds31

About 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 158175991) has the molecular formula C134H210F4N28O8 and a molecular weight of 2417.33 g/mol. Its IUPAC name is 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 CID158175991
Molecular FormulaC134H210F4N28O8
Molecular Weight2417.33 g/mol
Exact Mass2415.68
IUPAC Name2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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.CC(C)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CCCC(=O)N1CC(Nc2cc(C(C)(C)C)ncn2)C1.CCCCOc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.2C15H24N4O.C15H25N3.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;1-5-6-14(20)19-8-11(9-19)18-13-7-12(15(2,3)4)16-10-17-13;1-11(2)18-8-12(9-18)6-13-7-14(15(3,4)5)17-10-16-13;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);7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18);7,10-12H,6,8-9H2,1-5H3;4-5,8,17H,6-7,9H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyFXZUIGCEOHMOOQ-UHFFFAOYSA-N
XLogP23.48
TPSA410.90 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.33
LogP ≤ 523.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[2-[(3S)-7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3-(3,5-difluorophenyl)-3-methyl-2-oxopyrido[2,3-b][1,4]oxazin-1-yl]ethyl]-3-methylurea;N-[2-[(3S)-7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3-(3,5-difluorophenyl)-3-methyl-2-oxopyrido[2,3-b][1,4]oxazin-1-yl]ethyl]-2,2,2-trifluoroacetamide;(3S)-7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3-(3,5-difluorophenyl)-3-methyl-1-[3-(trifluoromethoxy)propyl]pyrido[2,3-b][1,4]oxazin-2-one
CID 157208589
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
N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide
CID 157440087
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
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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157664120
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

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 158175991) is 2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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.CC(C)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CCCC(=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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 FXZUIGCEOHMOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C17H26N4O.C16H26N4O.2C15H24N4O.C15H25N3.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;1-5-6-14(20)19-8-11(9-19)18-13-7-12(15(2,3)4)16-10-17-13;1-11(2)18-8-12(9-18)6-13-7-14(15(3,4)5)17-10-16-13;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);7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18);7,10-12H,6,8-9H2,1-5H3;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 2417.33 g/mol, XLogP of 23.48, 31 rotatable bonds, 6 hydrogen bond donors, and 31 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;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]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]butan-1-one;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 158175991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).