5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

C237H341FN44O10S — CID 159116196

IUPAC5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC(=O)Nc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(C(C)(C)O)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc([N+](=O)[O-])nc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nccs1.CC(C)CC(O)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cncnc1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cn1cc(C(C)(C)C)cn1.Cn1nnc(-c2ccc(C(C)(C)C)cn2)n1.Cn1nnnc1-c1ccc(C(C)(C)C)cn1.[C-]#[N+]C1(c2ccc(C(C)(C)C)cn2)CC1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23NO.C13H21N3.C13H16N2.C12H15N3.C12H18N2O.C12H19NO.2C11H15N5.C11H16N2O.C11H13N.C10H16N2O2.C10H12N2.C10H15NO.C9H12FN.C9H12N2O2.C9H12.C8H14N2.C8H12N2.2C8H11N.C7H12N2.C7H10N2.C7H11NS.C7H10O/c1-10(2)8-13(16)12-7-6-11(9-15-12)14(3,4)5;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-12(2,3)10-5-6-11(15-9-10)13(14-4)7-8-13;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-11(2,3)9-6-7-10(13-8-9)12(4,5)14;1-11(2,3)8-5-6-9(12-7-8)10-13-14-15-16(10)4;1-11(2,3)8-5-6-9(12-7-8)10-13-15-16(4)14-10;1-8(14)13-10-6-5-9(7-12-10)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-10(2,3)8-5-6-9(11-4)12-7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-8(10-6-7)11(12)13;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-8-5-9-4-7;1-7(2,3)6-8-4-5-9-6;1-6(2)7-4-3-5-8-7/h6-7,9-10,13,16H,8H2,1-5H3;4-5,10,14H,6-9H2,1-3H3;5-6,9H,7-8H2,1-3H3;4-9H,1-3H3;6-8H,1-5H3;6-8,14H,1-5H3;2*5-7H,1-4H3;5-7H,1-4H3,(H,12,13,14);5-8H,1-3H3;6H,1-5H3;5-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyKFCQBDXWUOMDBL-UHFFFAOYSA-N
MW4017.70 g/mol
LogP55.59
Rot. Bonds21

About 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (PubChem CID 159116196) has the molecular formula C237H341FN44O10S and a molecular weight of 4017.70 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
PubChem CID159116196
Molecular FormulaC237H341FN44O10S
Molecular Weight4017.70 g/mol
Exact Mass4014.72
IUPAC Name5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC(=O)Nc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(C(C)(C)O)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc([N+](=O)[O-])nc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nccs1.CC(C)CC(O)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cncnc1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cn1cc(C(C)(C)C)cn1.Cn1nnc(-c2ccc(C(C)(C)C)cn2)n1.Cn1nnnc1-c1ccc(C(C)(C)C)cn1.[C-]#[N+]C1(c2ccc(C(C)(C)C)cn2)CC1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23NO.C13H21N3.C13H16N2.C12H15N3.C12H18N2O.C12H19NO.2C11H15N5.C11H16N2O.C11H13N.C10H16N2O2.C10H12N2.C10H15NO.C9H12FN.C9H12N2O2.C9H12.C8H14N2.C8H12N2.2C8H11N.C7H12N2.C7H10N2.C7H11NS.C7H10O/c1-10(2)8-13(16)12-7-6-11(9-15-12)14(3,4)5;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-12(2,3)10-5-6-11(15-9-10)13(14-4)7-8-13;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-11(2,3)9-6-7-10(13-8-9)12(4,5)14;1-11(2,3)8-5-6-9(12-7-8)10-13-14-15-16(10)4;1-11(2,3)8-5-6-9(12-7-8)10-13-15-16(4)14-10;1-8(14)13-10-6-5-9(7-12-10)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-10(2,3)8-5-6-9(11-4)12-7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-8(10-6-7)11(12)13;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-8-5-9-4-7;1-7(2,3)6-8-4-5-9-6;1-6(2)7-4-3-5-8-7/h6-7,9-10,13,16H,8H2,1-5H3;4-5,10,14H,6-9H2,1-3H3;5-6,9H,7-8H2,1-3H3;4-9H,1-3H3;6-8H,1-5H3;6-8,14H,1-5H3;2*5-7H,1-4H3;5-7H,1-4H3,(H,12,13,14);5-8H,1-3H3;6H,1-5H3;5-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyKFCQBDXWUOMDBL-UHFFFAOYSA-N
XLogP55.59
TPSA650.42 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds21
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004017.70
LogP ≤ 555.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

CID 157181702
CID 157181702
cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
CID 157902277
CID 157902277
CID 158046770
CID 158046770
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
CID 159328819
CID 159328819
benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;bis(1-tert-butylimidazole);1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;dodecakis(2,2-dimethylpropane);furan;1-methylpyrazole;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;2H-tetrazole;1,3-thiazole;toluene
CID 159346623
2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 159736945
CID 161180427
CID 161180427
CID 161331998
CID 161331998
CID 161354559
CID 161354559
CID 161434547
CID 161434547

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The IUPAC name of 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (CID 159116196) is 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The canonical SMILES for 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is CC(=O)Nc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(C(C)(C)O)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc([N+](=O)[O-])nc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nccs1.CC(C)CC(O)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(N)nc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cncnc1.CN(C)C(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cn1cc(C(C)(C)C)cn1.Cn1nnc(-c2ccc(C(C)(C)C)cn2)n1.Cn1nnnc1-c1ccc(C(C)(C)C)cn1.[C-]#[N+]C1(c2ccc(C(C)(C)C)cn2)CC1.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The InChIKey is KFCQBDXWUOMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C13H21N3.C13H16N2.C12H15N3.C12H18N2O.C12H19NO.2C11H15N5.C11H16N2O.C11H13N.C10H16N2O2.C10H12N2.C10H15NO.C9H12FN.C9H12N2O2.C9H12.C8H14N2.C8H12N2.2C8H11N.C7H12N2.C7H10N2.C7H11NS.C7H10O/c1-10(2)8-13(16)12-7-6-11(9-15-12)14(3,4)5;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-12(2,3)10-5-6-11(15-9-10)13(14-4)7-8-13;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-12(2,3)9-6-7-10(13-8-9)11(15)14(4)5;1-11(2,3)9-6-7-10(13-8-9)12(4,5)14;1-11(2,3)8-5-6-9(12-7-8)10-13-14-15-16(10)4;1-11(2,3)8-5-6-9(12-7-8)10-13-15-16(4)14-10;1-8(14)13-10-6-5-9(7-12-10)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-10(2,3)8-5-6-9(11-4)12-7-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-8(10-6-7)11(12)13;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-9-10(4)6-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-8-5-9-4-7;1-7(2,3)6-8-4-5-9-6;1-6(2)7-4-3-5-8-7/h6-7,9-10,13,16H,8H2,1-5H3;4-5,10,14H,6-9H2,1-3H3;5-6,9H,7-8H2,1-3H3;4-9H,1-3H3;6-8H,1-5H3;6-8,14H,1-5H3;2*5-7H,1-4H3;5-7H,1-4H3,(H,12,13,14);5-8H,1-3H3;6H,1-5H3;5-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine has a molecular weight of 4017.70 g/mol, XLogP of 55.59, 21 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridine-2-carboxamide;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-tert-butyl-4-isocyanobenzene;5-tert-butyl-2-(1-isocyanocyclopropyl)pyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(1-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-(2-methyltetrazol-5-yl)pyridine;5-tert-butyl-2-nitropyridine;4-tert-butyl-1H-pyrazole;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)-3-methylbutan-1-ol;1-(5-tert-butyl-2-pyridinyl)piperazine;2-(5-tert-butyl-2-pyridinyl)propan-2-ol;2-tert-butyl-1,3-thiazole;cumene;2-propan-2-ylfuran;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159116196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).