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

C189H274F6N50O13S3 — CID 158413639

IUPAC2-(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
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(CC(=O)O)CC2)nc1.CC(C)c1cnc(N2CCN(CC(N)=O)CC2)nc1.CC(C)c1cnc(N2CCN(CCO)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)c1cnc(N2CCOCC2)nc1C(F)(F)F.CC(C)c1nc(-c2ccccc2)cs1.COC(=O)CN1CCN(c2ncc(C(C)C)cn2)CC1.Cc1nc(N2CCOCC2)ncc1C(C)C
InChIInChI=1S/C14H22N4O2.C13H21N5O.C13H20N4O2.C13H20N4O.C13H22N4O.C12H16F3N3O.C12H20N4O2S.C12H20N4.C12H19N3O.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/c1-11(2)12-8-15-14(16-9-12)18-6-4-17(5-7-18)10-13(19)20-3;1-10(2)11-7-15-13(16-8-11)18-5-3-17(4-6-18)9-12(14)19;1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19;1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-11(2)12-9-14-13(15-10-12)17-5-3-16(4-6-17)7-8-18;1-8(2)9-7-16-11(17-10(9)12(13,14)15)18-3-5-19-6-4-18;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)11-8-13-12(14-10(11)3)15-4-6-16-7-5-15;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/h8-9,11H,4-7,10H2,1-3H3;7-8,10H,3-6,9H2,1-2H3,(H2,14,19);7-8,10H,3-6,9H2,1-2H3,(H,18,19);8-10H,4-7H2,1-3H3;9-11,18H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,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
InChIKeyGZPOYNRFDMATMZ-UHFFFAOYSA-N
MW3664.80 g/mol
LogP27.81
Rot. Bonds38

About 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

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 (PubChem CID 158413639) has the molecular formula C189H274F6N50O13S3 and a molecular weight of 3664.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158413639
Molecular FormulaC189H274F6N50O13S3
Molecular Weight3664.80 g/mol
Exact Mass3662.14
IUPAC Name2-(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
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(CC(=O)O)CC2)nc1.CC(C)c1cnc(N2CCN(CC(N)=O)CC2)nc1.CC(C)c1cnc(N2CCN(CCO)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)c1cnc(N2CCOCC2)nc1C(F)(F)F.CC(C)c1nc(-c2ccccc2)cs1.COC(=O)CN1CCN(c2ncc(C(C)C)cn2)CC1.Cc1nc(N2CCOCC2)ncc1C(C)C
InChIInChI=1S/C14H22N4O2.C13H21N5O.C13H20N4O2.C13H20N4O.C13H22N4O.C12H16F3N3O.C12H20N4O2S.C12H20N4.C12H19N3O.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/c1-11(2)12-8-15-14(16-9-12)18-6-4-17(5-7-18)10-13(19)20-3;1-10(2)11-7-15-13(16-8-11)18-5-3-17(4-6-18)9-12(14)19;1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19;1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-11(2)12-9-14-13(15-10-12)17-5-3-16(4-6-17)7-8-18;1-8(2)9-7-16-11(17-10(9)12(13,14)15)18-3-5-19-6-4-18;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)11-8-13-12(14-10(11)3)15-4-6-16-7-5-15;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/h8-9,11H,4-7,10H2,1-3H3;7-8,10H,3-6,9H2,1-2H3,(H2,14,19);7-8,10H,3-6,9H2,1-2H3,(H,18,19);8-10H,4-7H2,1-3H3;9-11,18H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,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
InChIKeyGZPOYNRFDMATMZ-UHFFFAOYSA-N
XLogP27.81
TPSA675.03 Ų
H-Bond Donors5
H-Bond Acceptors60
Rotatable Bonds38
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003664.80
LogP ≤ 527.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1060

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157686031
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
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-[4-[4-methyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;5-methylsulfonyl-2-propan-2-ylpyridine;2-phenyl-5-propan-2-ylthiophene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 159598277
4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160016136
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
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
Methyl 2-[[2-[[2-[3-[1-[4-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfanylamino)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 178153910
Methyl 2-[[2-[[2-[4-[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]-5-fluoroindazol-6-yl]-3-(trifluoromethyl)indazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154010
Methyl 2-[[2-[[2-[4-[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]-5-fluoroindazol-6-yl]-3-methylindazol-1-yl]acetyl]amino]acetyl]amino]acetate
CID 178154096
Methyl 2-[[2-[[2-[3-[1-[4-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfinylamino)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 178154175
Methyl 2-[[2-[[2-[4-[1-[[1-[2-[4-[[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfanylamino)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 178154214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(CC(=O)O)CC2)nc1.CC(C)c1cnc(N2CCN(CC(N)=O)CC2)nc1.CC(C)c1cnc(N2CCN(CCO)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)c1cnc(N2CCOCC2)nc1C(F)(F)F.CC(C)c1nc(-c2ccccc2)cs1.COC(=O)CN1CCN(c2ncc(C(C)C)cn2)CC1.Cc1nc(N2CCOCC2)ncc1C(C)C.
What is the InChIKey of 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?
The InChIKey is GZPOYNRFDMATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.C13H21N5O.C13H20N4O2.C13H20N4O.C13H22N4O.C12H16F3N3O.C12H20N4O2S.C12H20N4.C12H19N3O.2C12H13NS.C12H13N.C11H16N4O.C11H18N4.C9H10N2O.C8H11F3N2/c1-11(2)12-8-15-14(16-9-12)18-6-4-17(5-7-18)10-13(19)20-3;1-10(2)11-7-15-13(16-8-11)18-5-3-17(4-6-18)9-12(14)19;1-10(2)11-7-14-13(15-8-11)17-5-3-16(4-6-17)9-12(18)19;1-10(2)12-8-14-13(15-9-12)17-6-4-16(5-7-17)11(3)18;1-11(2)12-9-14-13(15-10-12)17-5-3-16(4-6-17)7-8-18;1-8(2)9-7-16-11(17-10(9)12(13,14)15)18-3-5-19-6-4-18;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)11-8-13-12(14-10(11)3)15-4-6-16-7-5-15;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/h8-9,11H,4-7,10H2,1-3H3;7-8,10H,3-6,9H2,1-2H3,(H2,14,19);7-8,10H,3-6,9H2,1-2H3,(H,18,19);8-10H,4-7H2,1-3H3;9-11,18H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;8-10H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,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;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?
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 has a molecular weight of 3664.80 g/mol, XLogP of 27.81, 38 rotatable bonds, 5 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158413639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).