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

C151H167F5N30O3S2 — CID 158099385

IUPAC5-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
SMILESCC(C)c1ccc(-c2ccc(N)nn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ccc2nccnc2c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O.C13H12F2N2.C13H13FN2.C13H15N3.C12H12FN3.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2S.C11H12N2.C10H11NS.C8H12N2/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-8(2)9-3-4-11(12(15)5-9)13-16-6-10(14)7-17-13;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-9(2)10-3-5-11(6-4-10)12-7-8-13(14)16-15-12;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;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)10-14-6-9(7-15-10)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)9-4-5-10(14-9)11-12-6-3-7-13-11;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;1-6(2)8-9-4-7(3)5-10-8/h4-10H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-9H,1-2H3,(H2,14,16);3-8H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyFPBNITULDLIRQJ-UHFFFAOYSA-N
MW2609.33 g/mol
LogP38.21
Rot. Bonds24

About 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

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 (PubChem CID 158099385) has the molecular formula C151H167F5N30O3S2 and a molecular weight of 2609.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158099385
Molecular FormulaC151H167F5N30O3S2
Molecular Weight2609.33 g/mol
Exact Mass2607.32
IUPAC Name5-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
SMILESCC(C)c1ccc(-c2ccc(N)nn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ccc2nccnc2c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O.C13H12F2N2.C13H13FN2.C13H15N3.C12H12FN3.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2S.C11H12N2.C10H11NS.C8H12N2/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-8(2)9-3-4-11(12(15)5-9)13-16-6-10(14)7-17-13;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-9(2)10-3-5-11(6-4-10)12-7-8-13(14)16-15-12;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;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)10-14-6-9(7-15-10)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)9-4-5-10(14-9)11-12-6-3-7-13-11;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;1-6(2)8-9-4-7(3)5-10-8/h4-10H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-9H,1-2H3,(H2,14,16);3-8H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyFPBNITULDLIRQJ-UHFFFAOYSA-N
XLogP38.21
TPSA427.38 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.33
LogP ≤ 538.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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Related Compounds

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
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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
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
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tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 158779577
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
ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
CID 159014974
1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline
CID 159064581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2ccc(N)nn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)c(F)c1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ccc2nccnc2c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.COc1cc(C(C)C)ccc1-c1ncccn1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)c(F)c2)o1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 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?
The InChIKey is FPBNITULDLIRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C13H12F2N2.C13H13FN2.C13H15N3.C12H12FN3.C12H13FN2O.C12H14N2O.C11H12N4.C11H13N3.C11H12N2S.C11H12N2.C10H11NS.C8H12N2/c1-10(2)11-5-6-12(13(9-11)17-3)14-15-7-4-8-16-14;1-8(2)9-3-4-11(12(15)5-9)13-16-6-10(14)7-17-13;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-9(2)10-3-5-11(6-4-10)12-7-8-13(14)16-15-12;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;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)10-14-6-9(7-15-10)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)9-4-5-10(14-9)11-12-6-3-7-13-11;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;1-6(2)8-9-4-7(3)5-10-8/h4-10H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-9H,1-2H3,(H2,14,16);3-8H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2609.33 g/mol, XLogP of 38.21, 24 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).