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

C164H212F12N32O3S3 — CID 159283809

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-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
SMILESCC(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(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.Cc1cccnc1C(C)C.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C9H13N.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(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;1-7(2)9-8(3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-9-7(3)4-10-8;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;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;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyKZGGLYAOMDVKNA-UHFFFAOYSA-N
MW3003.90 g/mol
LogP41.27
Rot. Bonds24

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-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

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 (PubChem CID 159283809) has the molecular formula C164H212F12N32O3S3 and a molecular weight of 3003.90 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-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.

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-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
PubChem CID159283809
Molecular FormulaC164H212F12N32O3S3
Molecular Weight3003.90 g/mol
Exact Mass3001.64
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-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
SMILESCC(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(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.Cc1cccnc1C(C)C.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C9H13N.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(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;1-7(2)9-8(3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-9-7(3)4-10-8;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;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;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyKZGGLYAOMDVKNA-UHFFFAOYSA-N
XLogP41.27
TPSA403.64 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003003.90
LogP ≤ 541.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

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-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 with MolForge

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Related Compounds

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
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
6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline;5-[8-fluoro-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;7-methoxy-N-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 161423974

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-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?
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-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) 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-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.
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-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?
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-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 is 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(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.Cc1cccnc1C(C)C.Cc1cnc(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-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?
The InChIKey is KZGGLYAOMDVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.3C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H9F4N.C9H10F3N.C9H10N2O.C9H13NO.C9H13N.C8H11F3N2.C8H12N2.2C7H9FN2.C7H10N2/c1-10(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;1-7(2)9-8(3)5-4-6-10-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-6(2)8-5-9-7(3)4-10-8;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;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;4-7H,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-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?
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 has a molecular weight of 3003.90 g/mol, XLogP of 41.27, 24 rotatable bonds, 2 hydrogen bond donors, and 37 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-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 is sourced from PubChem (CID 159283809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).