5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene

C232H295BrF40N12O6 — CID 158311142

IUPAC5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OC(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1OC(F)(F)C(F)F.CC(C)(C)c1ccccc1OC(F)(F)F.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncccn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H14F4O.C12H15F3.C11H12F4.2C11H13F3O.C11H13F3.C11H14F2O.C11H17N3O.C11H16O.C11H16.C10H10F4.2C10H12F3N.C10H11F3.C10H12F2.2C10H13F.C10H14.C9H12FN.C9H13N.C8H11N.C7H9BrN2.C7H10N2/c1-11(2,3)8-6-4-5-7-9(8)17-12(15,16)10(13)14;1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h4-7,10H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;7-9H,3-6H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyGNRRZULRJMFMIG-UHFFFAOYSA-N
MW4187.81 g/mol
LogP74.03
Rot. Bonds16

About 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene

5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 158311142) has the molecular formula C232H295BrF40N12O6 and a molecular weight of 4187.81 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID158311142
Molecular FormulaC232H295BrF40N12O6
Molecular Weight4187.81 g/mol
Exact Mass4184.17
IUPAC Name5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OC(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1OC(F)(F)C(F)F.CC(C)(C)c1ccccc1OC(F)(F)F.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncccn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H14F4O.C12H15F3.C11H12F4.2C11H13F3O.C11H13F3.C11H14F2O.C11H17N3O.C11H16O.C11H16.C10H10F4.2C10H12F3N.C10H11F3.C10H12F2.2C10H13F.C10H14.C9H12FN.C9H13N.C8H11N.C7H9BrN2.C7H10N2/c1-11(2,3)8-6-4-5-7-9(8)17-12(15,16)10(13)14;1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h4-7,10H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;7-9H,3-6H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyGNRRZULRJMFMIG-UHFFFAOYSA-N
XLogP74.03
TPSA200.41 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004187.81
LogP ≤ 574.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

(3-Benzyloxy-5-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine
CID 86626896
(4-Benzyloxy-5'-isopropyl-2'-methoxy-biphenyl-2-ylmethyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine
CID 86626928
CID 157111127
CID 157111127
CID 157231012
CID 157231012
CID 157274586
CID 157274586
4-[2-[[2-(5-Methoxy-2-methylphenyl)-5-methylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(2-methoxyphenyl)-5-methylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[5-methyl-2-(3-methyl-6-prop-1-en-2-yl-2-pyridinyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[5-methyl-2-(3-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 157473332
4-[2-[[4,5-Dimethyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[4,5-dimethyl-2-(3-methyl-6-propan-2-yl-2-pyridinyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(2,4-dimethyl-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(2-ethoxy-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-4,5-dimethylphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 157639390
CID 157692924
CID 157692924
CID 157720778
CID 157720778
5-bromo-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrimidin-2-amine;methane;5-morpholin-4-yl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrimidin-2-amine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrimidin-2-amine
CID 157721353
CID 157725867
CID 157725867
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 158311142) is 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(OC(F)(F)F)c1.CC(C)(C)c1cccc(OC(F)F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1OC(F)(F)C(F)F.CC(C)(C)c1ccccc1OC(F)(F)F.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccn1.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(N2CCOCC2)cn1.CC(C)c1ncccn1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is GNRRZULRJMFMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O.C12H15F3.C11H12F4.2C11H13F3O.C11H13F3.C11H14F2O.C11H17N3O.C11H16O.C11H16.C10H10F4.2C10H12F3N.C10H11F3.C10H12F2.2C10H13F.C10H14.C9H12FN.C9H13N.C8H11N.C7H9BrN2.C7H10N2/c1-11(2,3)8-6-4-5-7-9(8)17-12(15,16)10(13)14;1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-10(2,3)7-4-8(11(13,14)15)6-9(12)5-7;1-10(2,3)8-5-4-6-9(7-8)15-11(12,13)14;1-10(2,3)8-6-4-5-7-9(8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-9(2)11-12-7-10(8-13-11)14-3-5-15-6-4-14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7/h4-7,10H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;4-7,10H,1-3H3;7-9H,3-6H2,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene?
5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 4187.81 g/mol, XLogP of 74.03, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylpyrimidine;tert-butylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-(difluoromethoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-tert-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-(2-propan-2-ylpyrimidin-5-yl)morpholine;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158311142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).