1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C252H334BrClF7N37O6S — CID 157408430

IUPAC1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccncc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H15N.C12H13N.2C11H14N2.C11H12S.3C10H12N2.C10H15NO.C9H11Br.C9H11Cl.C9H11F.C9H15N3.4C9H13NO.3C9H13N.2C8H9F3N2.3C8H12N2.C8H11NO.C7H11N3/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-12-10-6-5-9(7-11-10)8(2)3;3*1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-9-3-6(8)4-10-7/h4-9H,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3*3-7H,1-2H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;3-5H,8H2,1-2H3
InChIKeyBNZOJSDAFIBHME-UHFFFAOYSA-N
MW4258.11 g/mol
LogP67.46
Rot. Bonds31

About 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 157408430) has the molecular formula C252H334BrClF7N37O6S and a molecular weight of 4258.11 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID157408430
Molecular FormulaC252H334BrClF7N37O6S
Molecular Weight4258.11 g/mol
Exact Mass4253.54
IUPAC Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccncc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H15N.C12H13N.2C11H14N2.C11H12S.3C10H12N2.C10H15NO.C9H11Br.C9H11Cl.C9H11F.C9H15N3.4C9H13NO.3C9H13N.2C8H9F3N2.3C8H12N2.C8H11NO.C7H11N3/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-12-10-6-5-9(7-11-10)8(2)3;3*1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-9-3-6(8)4-10-7/h4-9H,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3*3-7H,1-2H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;3-5H,8H2,1-2H3
InChIKeyBNZOJSDAFIBHME-UHFFFAOYSA-N
XLogP67.46
TPSA559.69 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004258.11
LogP ≤ 567.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indene;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158108063
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylnaphthalene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159262124
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 161164963
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 161926717

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 157408430) is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccncc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is BNZOJSDAFIBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H13N.2C11H14N2.C11H12S.3C10H12N2.C10H15NO.C9H11Br.C9H11Cl.C9H11F.C9H15N3.4C9H13NO.3C9H13N.2C8H9F3N2.3C8H12N2.C8H11NO.C7H11N3/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-12-10-6-5-9(7-11-10)8(2)3;3*1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-9-3-6(8)4-10-7/h4-9H,1-3H3;3-9H,1-2H3;2*4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3*3-7H,1-2H3;5-7H,1-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;3-5H,8H2,1-2H3.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 4258.11 g/mol, XLogP of 67.46, 31 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157408430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).