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

C112H154F3N27O5S3 — CID 162250818

IUPAC2-(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
SMILESCC(=O)N1CCN(c2ncc(C(C)C)cn2)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(-c2ccncc2)s1.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)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/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)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;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)6-4-7(8(9,10)11)12-13(6)3/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*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;3-6H,1-2H3;4-5H,1-3H3
InChIKeyZXYRIUQZOROFSS-UHFFFAOYSA-N
MW2111.84 g/mol
LogP20.98
Rot. Bonds18

About 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

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 (PubChem CID 162250818) has the molecular formula C112H154F3N27O5S3 and a molecular weight of 2111.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID162250818
Molecular FormulaC112H154F3N27O5S3
Molecular Weight2111.84 g/mol
Exact Mass2110.17
IUPAC Name2-(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
SMILESCC(=O)N1CCN(c2ncc(C(C)C)cn2)CC1.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(-c2ccncc2)s1.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)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/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)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;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)6-4-7(8(9,10)11)12-13(6)3/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*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;3-6H,1-2H3;4-5H,1-3H3
InChIKeyZXYRIUQZOROFSS-UHFFFAOYSA-N
XLogP20.98
TPSA342.57 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002111.84
LogP ≤ 520.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 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 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-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
6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfonyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159119771
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
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
Methyl 2-[[2-[[2-[3-[1-[4-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]piperidin-4-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154219
Methyl 2-[[2-[[2-[4-[1-[[1-[2-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-5-fluoroindazol-6-yl]-3-methylindazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154273
Methyl 2-[[2-[[2-[3-[1-[4-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]piperidin-4-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate
CID 178154402
Methyl 2-[[2-[[2-[3-[1-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]piperidin-4-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154440
Methyl 2-[[2-[[2-[4-[1-[[1-[2-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-5-fluoroindazol-6-yl]-3-methylindazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154480
1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene
CID 157123910
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylpropanamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,3-thiazole-2-carboxamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-methylmethanesulfonamide
CID 158522848

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)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)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 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?
The InChIKey is ZXYRIUQZOROFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C12H20N4O2S.C12H20N4.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/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)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;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)6-4-7(8(9,10)11)12-13(6)3/h8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*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;3-6H,1-2H3;4-5H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2111.84 g/mol, XLogP of 20.98, 18 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162250818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).