5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C180H239F12N39O6S4 — CID 158801561

IUPAC5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)N1CCN(c2ncc(C(C)C)cn2)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc2nonc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCN(C)CC2)nc1.CC(C)c1cnc(N2CCN(S(C)(=O)=O)CC2)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1.CC(C)c1cnc(N2CCNCC2)nc1.CC(C)c1cnccn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)cs1.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(F)cn1.CC(C)c1ncncc1F.COc1cccnc1C(C)C.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-10(2)11-8-13-12(14-9-11)15-4-6-16(7-5-15)19(3,17)18;1-10(2)11-8-13-12(14-9-11)16-6-4-15(3)5-7-16;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)9-5-13-11(14-6-9)15-4-3-12-10(16)7-15;1-9(2)10-7-13-11(14-8-10)15-5-3-12-4-6-15;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)9-8(11-3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-4-9-7(3)10-5-8;1-5(2)7-6(8)3-9-4-10-7;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;3*3-9H,1-2H3;3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3,(H,12,16);7-9,12H,3-6H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyITNYPXLIXHMDIW-UHFFFAOYSA-N
MW3401.40 g/mol
LogP40.70
Rot. Bonds28

About 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 158801561) has the molecular formula C180H239F12N39O6S4 and a molecular weight of 3401.40 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID158801561
Molecular FormulaC180H239F12N39O6S4
Molecular Weight3401.40 g/mol
Exact Mass3398.83
IUPAC Name5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)N1CCN(c2ncc(C(C)C)cn2)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc2nonc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCN(C)CC2)nc1.CC(C)c1cnc(N2CCN(S(C)(=O)=O)CC2)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1.CC(C)c1cnc(N2CCNCC2)nc1.CC(C)c1cnccn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)cs1.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(F)cn1.CC(C)c1ncncc1F.COc1cccnc1C(C)C.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-10(2)11-8-13-12(14-9-11)15-4-6-16(7-5-15)19(3,17)18;1-10(2)11-8-13-12(14-9-11)16-6-4-15(3)5-7-16;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)9-5-13-11(14-6-9)15-4-3-12-10(16)7-15;1-9(2)10-7-13-11(14-8-10)15-5-3-12-4-6-15;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)9-8(11-3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-4-9-7(3)10-5-8;1-5(2)7-6(8)3-9-4-10-7;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;3*3-9H,1-2H3;3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3,(H,12,16);7-9,12H,3-6H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyITNYPXLIXHMDIW-UHFFFAOYSA-N
XLogP40.70
TPSA506.48 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds28
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003401.40
LogP ≤ 540.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Analyze 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)morpholine;methyl 2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetate;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide;2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]acetic acid;2-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanol;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 158413639
5-Fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159283809
4-Fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159383395
5-Fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine
CID 160084335
3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-2,3-dihydro-1H-indole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161246724
4-Fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161547947
5-Fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrazine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-ylthiophene;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline
CID 161689410
3,5-Difluoro-4-propan-2-ylbenzamide;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161936430
2-(4-Methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine
CID 162250818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 158801561) is 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)N1CCN(c2ncc(C(C)C)cn2)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc2nonc2c1.CC(C)c1cccc2ncccc12.CC(C)c1cnc(N2CCN(C)CC2)nc1.CC(C)c1cnc(N2CCN(S(C)(=O)=O)CC2)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1.CC(C)c1cnc(N2CCNCC2)nc1.CC(C)c1cnccn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nc(-c2ccccc2)cs1.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(F)cn1.CC(C)c1ncncc1F.COc1cccnc1C(C)C.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is ITNYPXLIXHMDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-10(2)11-8-13-12(14-9-11)15-4-6-16(7-5-15)19(3,17)18;1-10(2)11-8-13-12(14-9-11)16-6-4-15(3)5-7-16;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)9-5-13-11(14-6-9)15-4-3-12-10(16)7-15;1-9(2)10-7-13-11(14-8-10)15-5-3-12-4-6-15;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)9-8(11-3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-4-9-7(3)10-5-8;1-5(2)7-6(8)3-9-4-10-7;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;3*3-9H,1-2H3;3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3,(H,12,16);7-9,12H,3-6H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3401.40 g/mol, XLogP of 40.70, 28 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methoxy-2-propan-2-ylpyridine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(4-methylsulfonylpiperazin-1-yl)-5-propan-2-ylpyrimidine;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-piperazin-1-yl-5-propan-2-ylpyrimidine;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylpyrazine;4-(5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;1-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158801561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).