2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline

C134H144F6N24O3S — CID 157462043

IUPAC2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline
SMILESCC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)c(F)c1F.CC(C)c1ccc2nccnc2c1.CC(C)c1cnc(-c2ncccn2)cn1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1ccc(-c2ccc(C(C)C)cc2)nn1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O.C14H16N2.2C13H12F2N2.C13H13FN2.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2.C10H11NS/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-10(2)12-5-7-13(8-6-12)14-9-4-11(3)15-16-14;1-8(2)9-4-5-10(12(15)11(9)14)13-16-6-3-7-17-13;1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-7(2)10-5-4-9(6-11(10)13)12-15-14-8(3)16-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h4-10H,1-3H3;4-10H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyBUAPOOWYWKWGJL-UHFFFAOYSA-N
MW2284.85 g/mol
LogP34.44
Rot. Bonds21

About 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline

2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline (PubChem CID 157462043) has the molecular formula C134H144F6N24O3S and a molecular weight of 2284.85 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline
PubChem CID157462043
Molecular FormulaC134H144F6N24O3S
Molecular Weight2284.85 g/mol
Exact Mass2283.15
IUPAC Name2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline
SMILESCC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)c(F)c1F.CC(C)c1ccc2nccnc2c1.CC(C)c1cnc(-c2ncccn2)cn1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1ccc(-c2ccc(C(C)C)cc2)nn1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O.C14H16N2.2C13H12F2N2.C13H13FN2.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2.C10H11NS/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-10(2)12-5-7-13(8-6-12)14-9-4-11(3)15-16-14;1-8(2)9-4-5-10(12(15)11(9)14)13-16-6-3-7-17-13;1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-7(2)10-5-4-9(6-11(10)13)12-15-14-8(3)16-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h4-10H,1-3H3;4-10H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyBUAPOOWYWKWGJL-UHFFFAOYSA-N
XLogP34.44
TPSA336.91 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.85
LogP ≤ 534.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline with MolForge

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Related Compounds

2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
2-[4-anthracen-9-yl-6-(1-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzoxazole;6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine;2-[3-(1,10-phenanthrolin-5-yl)-5-(1-phenyltriazol-4-yl)phenyl]-1,3-benzothiazole;2-[6-(1-phenylbenzimidazol-2-yl)-2-pyren-1-ylpyrimidin-4-yl]imidazo[1,2-a]pyrimidine
CID 157281813
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyridin-2-one;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;7-propan-2-ylpyrido[2,3-b]pyrazine
CID 157664550
1,3-Benzothiazole;dibenzofuran;dibenzothiophene;dimethylphosphorylmethane;methane;1-methylbenzimidazole;9-methylcarbazole;1-methylimidazole;1,5-naphthyridine;1,8-naphthyridine;1,3,4-oxadiazole;1,3-oxazole;1,10-phenanthroline;4-phenyl-1,2,4-triazole;propan-2-one;pyrazine;pyridazine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,3,5-triazine;trimethylborane
CID 157975132
5-Fluoro-2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-benzothiazole;6-(4-propan-2-ylphenyl)pyridazin-3-amine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;6-propan-2-ylquinoxaline;2-(5-propan-2-ylthiophen-2-yl)pyrimidine
CID 158099385
1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline
CID 158252198
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene
CID 158519626
2-[4-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]naphthalen-1-yl]-1,3-benzoxazole;2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
CID 158828904
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyridin-2-one;1-phenoxy-4-propan-2-ylbenzene;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;7-propan-2-ylpyrido[2,3-b]pyrazine
CID 158839754
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline
CID 158901143
3-[1-[3-(Benzimidazol-1-yl)propyl]piperidin-4-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnoline;2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridine;2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethylfuro[3,2-c]pyridine
CID 159281698

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline?
The IUPAC name of 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline (CID 157462043) is 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline.
What is the SMILES notation for 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline?
The canonical SMILES for 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline is CC(C)c1cc(F)c(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)c(F)c1F.CC(C)c1ccc2nccnc2c1.CC(C)c1cnc(-c2ncccn2)cn1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1ccc(-c2ccc(C(C)C)cc2)nn1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline?
The InChIKey is BUAPOOWYWKWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C14H16N2.2C13H12F2N2.C13H13FN2.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2.C10H11NS/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-10(2)12-5-7-13(8-6-12)14-9-4-11(3)15-16-14;1-8(2)9-4-5-10(12(15)11(9)14)13-16-6-3-7-17-13;1-8(2)9-6-12(15)10(7-11(9)14)13-16-4-3-5-17-13;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-7(2)10-5-4-9(6-11(10)13)12-15-14-8(3)16-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)9-6-15-10(7-14-9)11-12-4-3-5-13-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10/h4-10H,1-3H3;4-10H,1-3H3;2*3-8H,1-2H3;3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline?
2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline has a molecular weight of 2284.85 g/mol, XLogP of 34.44, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;2-(2-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(2-methoxy-4-propan-2-ylphenyl)pyrimidine;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;3-methyl-6-(4-propan-2-ylphenyl)pyridazine;2-propan-2-yl-1,3-benzothiazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;2-propan-2-yl-5-pyrimidin-2-ylpyrazine;6-propan-2-ylquinoxaline is sourced from PubChem (CID 157462043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).