5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

C201H307F5N34O9 — CID 162257595

IUPAC5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESC=C1C=CC(C(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(O)Cn1cc(C(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.COCC(=O)NCc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H19N3O2.C12H18N2O2.C11H20N2.C11H17N.C10H13F2N.C10H17N3O.C10H18N2O.C10H15N.C10H14.C9H12F2N2O.C9H15N3O.C9H16N2O.C9H14N2.5C9H13N.C8H10FN.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-9(2)10-6-12-13(7-10)8-11(3,4)5;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(2)9-5-4-8(3)13(6-9)10(11)12;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-7(2)8-4-11-12(5-8)6-9(13)10-3;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;5*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3;4-7,10H,3H2,1-2H3;5-6,8H,7H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-5,7H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;5*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3
InChIKeyZYULHGCTNRYXAM-UHFFFAOYSA-N
MW3438.89 g/mol
LogP45.59
Rot. Bonds38

About 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 162257595) has the molecular formula C201H307F5N34O9 and a molecular weight of 3438.89 g/mol. Its IUPAC name is 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID162257595
Molecular FormulaC201H307F5N34O9
Molecular Weight3438.89 g/mol
Exact Mass3436.45
IUPAC Name5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESC=C1C=CC(C(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(O)Cn1cc(C(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.COCC(=O)NCc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H19N3O2.C12H18N2O2.C11H20N2.C11H17N.C10H13F2N.C10H17N3O.C10H18N2O.C10H15N.C10H14.C9H12F2N2O.C9H15N3O.C9H16N2O.C9H14N2.5C9H13N.C8H10FN.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-9(2)10-6-12-13(7-10)8-11(3,4)5;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(2)9-5-4-8(3)13(6-9)10(11)12;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-7(2)8-4-11-12(5-8)6-9(13)10-3;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;5*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3;4-7,10H,3H2,1-2H3;5-6,8H,7H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-5,7H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;5*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3
InChIKeyZYULHGCTNRYXAM-UHFFFAOYSA-N
XLogP45.59
TPSA486.61 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003438.89
LogP ≤ 545.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;N,5-di(propan-2-yl)pyrimidin-2-amine;2-ethoxy-5-propan-2-ylpyrimidine;2-ethyl-5-propan-2-ylpyrimidine;3-fluoro-5-propan-2-ylpyridine;2-[1-(2-methoxyethyl)piperidin-4-yl]-5-propan-2-ylpyridine;N-(2-methoxyethyl)-5-propan-2-ylpyrimidin-2-amine;2-methoxy-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole;2-piperidin-4-yl-5-propan-2-ylpyridine;2-(4-propan-2-ylpyrazol-1-yl)acetamide;1-(4-propan-2-ylpyrazol-1-yl)butan-2-one;4-(4-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol;5-propan-2-ylpyridine-3-carbonitrile;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-ylpyrimidine-2-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)morpholine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 163670312
N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126448833
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
CID 171315068
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[[3-[[[5-chloro-2-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]-N-methylmethanesulfonamide
CID 90023649
azetidin-1-yl-(6-propan-2-yl-3-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide;3-fluoro-5-methoxy-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-propan-2-yloxyoxetane;3-propan-2-yloxyoxolane;(3R)-3-propan-2-yloxyoxolane;2-propan-2-yloxypropane-1,3-diol;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 163968361
2-[4-[[5-fluoro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 118130385
N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 56793742
[2-[1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 175620691
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (CID 162257595) is 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is C=C1C=CC(C(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cnc(OC(F)F)nc1.CC(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N(C)C)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(O)Cn1cc(C(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.COCC(=O)NCc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is ZYULHGCTNRYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C12H18N2O2.C11H20N2.C11H17N.C10H13F2N.C10H17N3O.C10H18N2O.C10H15N.C10H14.C9H12F2N2O.C9H15N3O.C9H16N2O.C9H14N2.5C9H13N.C8H10FN.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-9(2)10-6-12-13(7-10)8-11(3,4)5;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(2)9-5-4-8(3)13(6-9)10(11)12;1-8(2)9-5-11-13(6-9)7-10(14)12(3)4;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)6-4-12-8(13-5-6)14-7(10)11;1-7(2)8-4-11-12(5-8)6-9(13)10-3;1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;5*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3;4-7,10H,3H2,1-2H3;5-6,8H,7H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-5,7H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;5*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3.
What are the key properties of 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 3438.89 g/mol, XLogP of 45.59, 38 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(difluoromethoxy)pyrimidine;5-tert-butyl-2-methylpyrimidine;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2,3-dimethyl-5-propan-2-ylpyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpyrazole;1-ethyl-2-methylidene-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;pentakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 162257595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).