5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide

C209H345F11N43O9+ — CID 158429616

IUPAC5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(C)c1ccnn1CC(F)(F)F.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)(C)c1cncnc1C(F)F.CC(C)(O)Cn1nccc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1nccc1C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCOCC1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COCCn1nc(C)c(C(C)(C)C)c1C.COc1ncccc1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)nn1.Cc1ccc(C(C)(C)C)nn1.Cc1cn(C(C)(C)C)c(C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1cnn(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)[n+](C)[nH]1.Cc1nc(C(F)F)ncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(C(F)F)n1.Cc1ncn(C(C)(C)C)c1C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C12H22N2O.C12H18N2O.C11H20N2O.C11H21NO2.2C10H14F2N2.C10H18N2.C10H16N2.C10H15NO.C9H13F3N2.C9H12F2N2O.C9H12F2N2.3C9H16N2.2C9H14N2.C9H16N2.C9H15NO.2C8H15N3.C7H12N2O/c1-9-11(12(3,4)5)10(2)14(13-9)7-8-15-6;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-10(2,3)9-6-7-12-13(9)8-11(4,5)14;1-11(2,3)10(13)12(4)9-5-7-14-8-6-9;1-6-13-5-7(10(2,3)4)8(14-6)9(11)12;1-6-7(10(2,3)4)5-13-9(14-6)8(11)12;1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-6-8(2)11-12-9(7)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8(2,3)7-4-5-13-14(7)6-9(10,11)12;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-9(2,3)6-4-12-5-13-7(6)8(10)11;1-7-8(2)11(6-10-7)9(3,4)5;1-7-6-10-11(5)8(7)9(2,3)4;1-7-6-11(8(2)10-7)9(3,4)5;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-8(6-7-10-11)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6-9-10-7(11(6)5)8(2,3)4;1-6-9-7(8(2,3)4)11(5)10-6;1-5-8-9-6(10-5)7(2,3)4/h7-8H2,1-6H3;6-8H,1-5H3;6-7,14H,8H2,1-5H3;9H,5-8H2,1-4H3;5,9H,1-4H3;5,8H,1-4H3;6-8H,1-5H3;6H,1-5H3;5-7H,1-4H3;4-5H,6H2,1-3H3;4-5,7H,1-3H3;4-5,8H,1-3H3;3*6H,1-5H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;3*1-5H3;1-4H3/p+1
InChIKeySQLMNGHIIDDUPK-UHFFFAOYSA-O
MW3813.33 g/mol
LogP48.98
Rot. Bonds16

About 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide

5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide (PubChem CID 158429616) has the molecular formula C209H345F11N43O9+ and a molecular weight of 3813.33 g/mol. Its IUPAC name is 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide
PubChem CID158429616
Molecular FormulaC209H345F11N43O9+
Molecular Weight3813.33 g/mol
Exact Mass3810.77
IUPAC Name5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(C)c1ccnn1CC(F)(F)F.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)(C)c1cncnc1C(F)F.CC(C)(O)Cn1nccc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1nccc1C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCOCC1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COCCn1nc(C)c(C(C)(C)C)c1C.COc1ncccc1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)nn1.Cc1ccc(C(C)(C)C)nn1.Cc1cn(C(C)(C)C)c(C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1cnn(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)[n+](C)[nH]1.Cc1nc(C(F)F)ncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(C(F)F)n1.Cc1ncn(C(C)(C)C)c1C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C12H22N2O.C12H18N2O.C11H20N2O.C11H21NO2.2C10H14F2N2.C10H18N2.C10H16N2.C10H15NO.C9H13F3N2.C9H12F2N2O.C9H12F2N2.3C9H16N2.2C9H14N2.C9H16N2.C9H15NO.2C8H15N3.C7H12N2O/c1-9-11(12(3,4)5)10(2)14(13-9)7-8-15-6;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-10(2,3)9-6-7-12-13(9)8-11(4,5)14;1-11(2,3)10(13)12(4)9-5-7-14-8-6-9;1-6-13-5-7(10(2,3)4)8(14-6)9(11)12;1-6-7(10(2,3)4)5-13-9(14-6)8(11)12;1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-6-8(2)11-12-9(7)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8(2,3)7-4-5-13-14(7)6-9(10,11)12;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-9(2,3)6-4-12-5-13-7(6)8(10)11;1-7-8(2)11(6-10-7)9(3,4)5;1-7-6-10-11(5)8(7)9(2,3)4;1-7-6-11(8(2)10-7)9(3,4)5;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-8(6-7-10-11)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6-9-10-7(11(6)5)8(2,3)4;1-6-9-7(8(2,3)4)11(5)10-6;1-5-8-9-6(10-5)7(2,3)4/h7-8H2,1-6H3;6-8H,1-5H3;6-7,14H,8H2,1-5H3;9H,5-8H2,1-4H3;5,9H,1-4H3;5,8H,1-4H3;6-8H,1-5H3;6H,1-5H3;5-7H,1-4H3;4-5H,6H2,1-3H3;4-5,7H,1-3H3;4-5,8H,1-3H3;3*6H,1-5H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;3*1-5H3;1-4H3/p+1
InChIKeySQLMNGHIIDDUPK-UHFFFAOYSA-O
XLogP48.98
TPSA574.79 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds16
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003813.33
LogP ≤ 548.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 158641643
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 157477533
bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;5-tert-butyloxadiazolo[5,4-b]pyridine;6-tert-butyl-[1,2,5]oxadiazolo[3,4-b]pyridine;6-tert-butyloxadiazolo[4,5-b]pyridine;6-tert-butyl-[1,2,5]oxadiazolo[3,4-c]pyridine;6-tert-butyloxadiazolo[4,5-c]pyridine;6-tert-butyloxadiazolo[5,4-c]pyridine;2-tert-butyl-[1,3]oxazolo[4,5-b]pyrazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;3-tert-butyl-[1,2]oxazolo[4,5-c]pyridazine;3-tert-butyl-[1,2]oxazolo[5,4-c]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-d]pyridazine;2-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,5-d]pyrimidine;3-tert-butyl-[1,2]oxazolo[5,4-d]pyrimidine;bis(8-tert-butyl-7H-purine);6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine
CID 157977207
CID 158314564
CID 158314564
2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole
CID 158448689
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;4-(3,3-dimethylbutyl)pyrimidine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
CID 158780566
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159002805
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159030602
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;4-(3,3-dimethylbutyl)pyrimidine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
CID 159292105
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;methane;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;1-[(4-propan-2-ylphenyl)methyl]azetidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 159721811
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-[(6-propan-2-ylpyrazin-2-yl)methyl]morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;bis(2-propan-2-yl-1H-pyrrole)
CID 160065630

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide?
The IUPAC name of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide (CID 158429616) is 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide is CC(C)(C)c1ccnn1CC(F)(F)F.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)(C)c1cncnc1C(F)F.CC(C)(O)Cn1nccc1C(C)(C)C.CC(C)n1nccc1C(C)(C)C.CCn1nccc1C(C)(C)C.CN(C(=O)C(C)(C)C)C1CCOCC1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COCCn1nc(C)c(C(C)(C)C)c1C.COc1ncccc1C(C)(C)C.Cc1cc(C)c(C(C)(C)C)nn1.Cc1ccc(C(C)(C)C)nn1.Cc1cn(C(C)(C)C)c(C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1cnn(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)[n+](C)[nH]1.Cc1nc(C(F)F)ncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(C(F)F)n1.Cc1ncn(C(C)(C)C)c1C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide?
The InChIKey is SQLMNGHIIDDUPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O.C12H18N2O.C11H20N2O.C11H21NO2.2C10H14F2N2.C10H18N2.C10H16N2.C10H15NO.C9H13F3N2.C9H12F2N2O.C9H12F2N2.3C9H16N2.2C9H14N2.C9H16N2.C9H15NO.2C8H15N3.C7H12N2O/c1-9-11(12(3,4)5)10(2)14(13-9)7-8-15-6;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-10(2,3)9-6-7-12-13(9)8-11(4,5)14;1-11(2,3)10(13)12(4)9-5-7-14-8-6-9;1-6-13-5-7(10(2,3)4)8(14-6)9(11)12;1-6-7(10(2,3)4)5-13-9(14-6)8(11)12;1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-6-8(2)11-12-9(7)10(3,4)5;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8(2,3)7-4-5-13-14(7)6-9(10,11)12;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-9(2,3)6-4-12-5-13-7(6)8(10)11;1-7-8(2)11(6-10-7)9(3,4)5;1-7-6-10-11(5)8(7)9(2,3)4;1-7-6-11(8(2)10-7)9(3,4)5;1-7-5-10-8(11-6-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-5-11-8(6-7-10-11)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6-9-10-7(11(6)5)8(2,3)4;1-6-9-7(8(2,3)4)11(5)10-6;1-5-8-9-6(10-5)7(2,3)4/h7-8H2,1-6H3;6-8H,1-5H3;6-7,14H,8H2,1-5H3;9H,5-8H2,1-4H3;5,9H,1-4H3;5,8H,1-4H3;6-8H,1-5H3;6H,1-5H3;5-7H,1-4H3;4-5H,6H2,1-3H3;4-5,7H,1-3H3;4-5,8H,1-3H3;3*6H,1-5H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;3*1-5H3;1-4H3/p+1.
What are the key properties of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide?
5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide has a molecular weight of 3813.33 g/mol, XLogP of 48.98, 16 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-(difluoromethyl)-4-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)-2-methylpyrimidine;5-tert-butyl-4-(difluoromethyl)pyrimidine;1-tert-butyl-2,4-dimethylimidazole;1-tert-butyl-4,5-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-4,6-dimethylpyridazine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-2,5-dimethyl-1H-1,2,4-triazol-2-ium;5-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)-3,5-dimethylpyrazole;3-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyrimidine;5-tert-butyl-1-propan-2-ylpyrazole;1-(5-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;5-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;N,2,2-trimethyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 158429616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).