4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

C94H148F3N19O7 — CID 158221484

IUPAC4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESCC(C)(C)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C18H28N2O2.C16H26N4O.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O/c1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)5;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19/h11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19)
InChIKeyGDHILKHCAZJUIA-UHFFFAOYSA-N
MW1713.34 g/mol
LogP12.95
Rot. Bonds21

About 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (PubChem CID 158221484) has the molecular formula C94H148F3N19O7 and a molecular weight of 1713.34 g/mol. Its IUPAC name is 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
PubChem CID158221484
Molecular FormulaC94H148F3N19O7
Molecular Weight1713.34 g/mol
Exact Mass1712.18
IUPAC Name4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESCC(C)(C)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C18H28N2O2.C16H26N4O.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O/c1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)5;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19/h11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19)
InChIKeyGDHILKHCAZJUIA-UHFFFAOYSA-N
XLogP12.95
TPSA295.25 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001713.34
LogP ≤ 512.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine with MolForge

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Related Compounds

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-[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
4-(Azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 157992841
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
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;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclopropylmethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-3-methylbutan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 158643167
3-Tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 158917413
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]methyl]pyrimidine;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 159301631
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
6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-(2,2-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[5-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]pyridazin-3-amine;N-methyl-N-[1-[4-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]piperidin-4-yl]acetamide;N-[[4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-amine;N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-amine
CID 159512123
4-(Azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159520113
N-[[6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide;N-[[5-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 159915626
N-cyclobutyl-2-[6-oxo-3-(2-propoxypyrimidin-5-yl)pyridazin-1-yl]acetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide;N-ethyl-2-[3-[6-[(3-fluoro-3-methylcyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 160089491

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The IUPAC name of 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (CID 158221484) is 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.
What is the SMILES notation for 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The canonical SMILES for 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is CC(C)(C)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The InChIKey is GDHILKHCAZJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C16H26N4O.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O/c1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)5;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19/h11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19).
What are the key properties of 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine has a molecular weight of 1713.34 g/mol, XLogP of 12.95, 21 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;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;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is sourced from PubChem (CID 158221484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).