2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine

C173H267F4N21O7S2 — CID 161048627

IUPAC2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine
SMILESC.C.C.C.C.C.C.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1N1CCOC1=O.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO2.C12H15NO2.C11H16FNO.C11H18N2.C11H17NO.C10H13F.C10H14N2.C10H11NO.C10H17NS.C10H14.C9H11F2N.C9H14N2.C9H13N.2C8H12N2.C7H10N2.C7H11NS.8CH4/c1-9(2)11-5-4-10(3)12(8-11)14-6-7-16-13(14)15;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-12-8(5-7)9(10)11;1-4-9-10-6-5-8(11-9)7(2)3;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;6-8H,1-5H3;5-9H,1-4H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;3-6,9H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;8*1H4
InChIKeyUBVIAPMCNQFARD-UHFFFAOYSA-N
MW2893.30 g/mol
LogP50.25
Rot. Bonds29

About 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine

2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine (PubChem CID 161048627) has the molecular formula C173H267F4N21O7S2 and a molecular weight of 2893.30 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine
PubChem CID161048627
Molecular FormulaC173H267F4N21O7S2
Molecular Weight2893.30 g/mol
Exact Mass2891.06
IUPAC Name2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine
SMILESC.C.C.C.C.C.C.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1N1CCOC1=O.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C13H17NO2.C12H15NO2.C11H16FNO.C11H18N2.C11H17NO.C10H13F.C10H14N2.C10H11NO.C10H17NS.C10H14.C9H11F2N.C9H14N2.C9H13N.2C8H12N2.C7H10N2.C7H11NS.8CH4/c1-9(2)11-5-4-10(3)12(8-11)14-6-7-16-13(14)15;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-12-8(5-7)9(10)11;1-4-9-10-6-5-8(11-9)7(2)3;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;6-8H,1-5H3;5-9H,1-4H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;3-6,9H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;8*1H4
InChIKeyUBVIAPMCNQFARD-UHFFFAOYSA-N
XLogP50.25
TPSA345.73 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.30
LogP ≤ 550.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;2-(2-fluoro-5-propan-2-ylphenoxy)ethanol;3-(2-fluoro-5-propan-2-ylphenyl)-2-methylidene-1,3-oxazolidine;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);tris(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 159098555
4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159323054
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(oxan-4-yloxy)phenyl]methyl]pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(4-fluoro-3-methylphenyl)-5-[[4-(sulfinatoamino)phenyl]methylamino]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
CID 159419300
2-Cyclopropyl-4-propan-2-ylpyrimidine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylthiophene;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine
CID 161699045
2-Cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;3-(2-fluoro-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;methane;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;1-(4-propan-2-ylphenyl)pyrrolidin-2-one;4-propan-2-ylpyrimidine
CID 162241252

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine?
The IUPAC name of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine (CID 161048627) is 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine is C.C.C.C.C.C.C.C.CC(C)Cc1ncc(C(C)C)s1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(F)c(NCCO)c1.CC(C)c1ccc(N2CCOC2=O)cc1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1ccnc(C(F)F)c1.CC(C)c1ccnc(C2CC2)n1.CC(C)c1ccncn1.CCc1nccc(C(C)C)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1N1CCOC1=O.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine?
The InChIKey is UBVIAPMCNQFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C12H15NO2.C11H16FNO.C11H18N2.C11H17NO.C10H13F.C10H14N2.C10H11NO.C10H17NS.C10H14.C9H11F2N.C9H14N2.C9H13N.2C8H12N2.C7H10N2.C7H11NS.8CH4/c1-9(2)11-5-4-10(3)12(8-11)14-6-7-16-13(14)15;1-9(2)10-3-5-11(6-4-10)13-7-8-15-12(13)14;1-8(2)9-3-4-10(12)11(7-9)13-5-6-14;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)5-10-11-6-9(12-10)8(3)4;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-12-8(5-7)9(10)11;1-4-9-10-6-5-8(11-9)7(2)3;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-8-6(3)9-7;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,7-8,13-14H,5-6H2,1-2H3;6-8H,1-5H3;5-9H,1-4H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;6-8H,5H2,1-4H3;4-8H,1-3H3;3-6,9H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;8*1H4.
What are the key properties of 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine?
2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine has a molecular weight of 2893.30 g/mol, XLogP of 50.25, 29 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-(2-fluoro-5-propan-2-ylanilino)ethanol;methane;1-methyl-4-propan-2-ylbenzene;3-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidin-2-one;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylpyrimidine);2-methyl-5-propan-2-yl-1,3-thiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuro[3,2-c]pyridine;3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 161048627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).