3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane

C220H358N30O14 — CID 158164168

IUPAC3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane
SMILESCC.CC.CC.CC.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cncc(C(=O)O)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)nn1.COc1ncc(C(C)(C)C)cn1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H17NO.2C10H13NO2.6C10H15N.C9H15N3.2C9H14N2O.C9H14N2.C8H12N2O.5C8H12N2.2C8H16O.4C5H10O.4C2H6/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-10(2,3)8-4-7(9(12)13)5-11-6-8;1-10(2,3)7-4-5-8(9(12)13)11-6-7;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-8(12-4)11-10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;4*1-2/h5-6,8H,7H2,1-4H3;2*4-6H,1-3H3,(H,12,13);6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);5*4-6H,1-3H3;2*7H,4-6H2,1-3H3;4*5H,2-4H2,1H3;4*1-2H3/t;;;;;;;;;;;;;;;;;;;;;4*5-;;;;/m.....................1010..../s1
InChIKeyFWQHFTVSRHKBSE-VYOVHADBSA-N
MW3647.48 g/mol
LogP52.88
Rot. Bonds6

About 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane

3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane (PubChem CID 158164168) has the molecular formula C220H358N30O14 and a molecular weight of 3647.48 g/mol. Its IUPAC name is 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane.

Molecular Properties

Compound Name3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane
PubChem CID158164168
Molecular FormulaC220H358N30O14
Molecular Weight3647.48 g/mol
Exact Mass3644.82
IUPAC Name3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane
SMILESCC.CC.CC.CC.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cncc(C(=O)O)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)nn1.COc1ncc(C(C)(C)C)cn1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H17NO.2C10H13NO2.6C10H15N.C9H15N3.2C9H14N2O.C9H14N2.C8H12N2O.5C8H12N2.2C8H16O.4C5H10O.4C2H6/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-10(2,3)8-4-7(9(12)13)5-11-6-8;1-10(2,3)7-4-5-8(9(12)13)11-6-7;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-8(12-4)11-10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;4*1-2/h5-6,8H,7H2,1-4H3;2*4-6H,1-3H3,(H,12,13);6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);5*4-6H,1-3H3;2*7H,4-6H2,1-3H3;4*5H,2-4H2,1H3;4*1-2H3/t;;;;;;;;;;;;;;;;;;;;;4*5-;;;;/m.....................1010..../s1
InChIKeyFWQHFTVSRHKBSE-VYOVHADBSA-N
XLogP52.88
TPSA585.31 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds6
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003647.48
LogP ≤ 552.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethanol;2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;4-methoxy-6-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 5-propan-2-ylpyrazine-2-carboximidate;N-methyl-6-propan-2-ylpyridazine-3-carboxamide;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 157784617
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethanol;2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-methoxy-4-propan-2-ylpyrimidine;4-methoxy-6-propan-2-ylpyrimidine;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 5-propan-2-ylpyrazine-2-carboximidate;N-methyl-6-propan-2-ylpyridazine-3-carboxamide;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-methyl-6-propan-2-ylpyrimidine;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine;1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-ol;4-propan-2-yl-6-pyrrolidin-1-ylpyrimidine;N,N,4-trimethyl-6-propan-2-ylpyrimidin-2-amine
CID 161151266
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 157112565
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(2,3-dihydrofuro[3,2-c]pyridin-6-ylmethyl)triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;2,3-dihydrofuro[3,2-c]pyridin-6-ylmethanamine;6-ethyl-2,3-dihydrofuro[3,2-c]pyridine;6-ethylfuro[3,2-c]pyridine;furo[3,2-c]pyridin-6-ylmethanamine
CID 157177643
Bis(2-[6-[[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-pyridinyl]propan-2-ol);methyl 6-[[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]pyridine-2-carboxylate
CID 157818799
tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal
CID 158027160
(2R)-2-aminocyclopentan-1-ol;tert-butyl N-[3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxycyclopentyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 158360065
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 158489978
2-Aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate
CID 158514545
CID 158536924
CID 158536924
CID 158569947
CID 158569947
2-[3-[1-(carboxymethyl)-4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]pyrrolo[2,3-c]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-[3-[4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazol-1-yl]acetic acid
CID 158599221

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane?
The IUPAC name of 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane (CID 158164168) is 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane.
What is the SMILES notation for 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane?
The canonical SMILES for 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane is CC.CC.CC.CC.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc(C(=O)O)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(=O)[nH]c1.CC(C)(C)c1cncc(C(=O)O)c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)nn1.COc1ncc(C(C)(C)C)cn1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane?
The InChIKey is FWQHFTVSRHKBSE-VYOVHADBSA-N. The full InChI is InChI=1S/C12H17NO.2C10H13NO2.6C10H15N.C9H15N3.2C9H14N2O.C9H14N2.C8H12N2O.5C8H12N2.2C8H16O.4C5H10O.4C2H6/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-10(2,3)8-4-7(9(12)13)5-11-6-8;1-10(2,3)7-4-5-8(9(12)13)11-6-7;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-8(12-4)11-10-7;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)6-4-9-7(11)10-5-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;4*1-2/h5-6,8H,7H2,1-4H3;2*4-6H,1-3H3,(H,12,13);6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);5*4-6H,1-3H3;2*7H,4-6H2,1-3H3;4*5H,2-4H2,1H3;4*1-2H3/t;;;;;;;;;;;;;;;;;;;;;4*5-;;;;/m.....................1010..../s1.
What are the key properties of 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane?
3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane has a molecular weight of 3647.48 g/mol, XLogP of 52.88, 6 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methoxypyridazine;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-5-methylpyridine;bis(3-tert-butyl-4-methylpyridine);tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxylic acid;5-tert-butylpyridine-3-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)propan-2-one;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrimidin-2-one;ethane;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane is sourced from PubChem (CID 158164168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).