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

C203H271F15N42O11S4 — CID 159598277

IUPAC5-(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
SMILESCC(=O)N1CCN(c2nc(C)c(C(C)C)c(C(F)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1
InChIInChI=1S/C15H21F3N4O.C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C12H18N2.C11H17N3.C11H12N2S.C11H12N2.C10H9F6N.C10H16N4O.C9H13NO2S.C6H7F3N2S/c1-9(2)12-10(3)19-14(20-13(12)15(16,17)18)22-7-5-21(6-8-22)11(4)23;1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)14-13(15-11(12)4)16-5-7-17-8-6-16;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-7(2)8-5-17-11(18-10(8)12(13,14)15)19-4-3-16-9(20)6-19;1-8(2)10-6-14-12(15-9(10)3)16-5-4-13-11(17)7-16;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h9H,5-8H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;9H,5-8H2,1-4H3;3-10H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,16,20);6,8H,4-5,7H2,1-3H3,(H,13,17);7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);4-7H,1-3H3;3H,1-2H3
InChIKeyMLDAXNNRGWXLFV-UHFFFAOYSA-N
MW3888.92 g/mol
LogP41.67
Rot. Bonds35

About 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

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 (PubChem CID 159598277) has the molecular formula C203H271F15N42O11S4 and a molecular weight of 3888.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159598277
Molecular FormulaC203H271F15N42O11S4
Molecular Weight3888.92 g/mol
Exact Mass3886.06
IUPAC Name5-(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
SMILESCC(=O)N1CCN(c2nc(C)c(C(C)C)c(C(F)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1
InChIInChI=1S/C15H21F3N4O.C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C12H18N2.C11H17N3.C11H12N2S.C11H12N2.C10H9F6N.C10H16N4O.C9H13NO2S.C6H7F3N2S/c1-9(2)12-10(3)19-14(20-13(12)15(16,17)18)22-7-5-21(6-8-22)11(4)23;1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)14-13(15-11(12)4)16-5-7-17-8-6-16;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-7(2)8-5-17-11(18-10(8)12(13,14)15)19-4-3-16-9(20)6-19;1-8(2)10-6-14-12(15-9(10)3)16-5-4-13-11(17)7-16;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h9H,5-8H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;9H,5-8H2,1-4H3;3-10H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,16,20);6,8H,4-5,7H2,1-3H3,(H,13,17);7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);4-7H,1-3H3;3H,1-2H3
InChIKeyMLDAXNNRGWXLFV-UHFFFAOYSA-N
XLogP41.67
TPSA615.29 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds35
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003888.92
LogP ≤ 541.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Analyze 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 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-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-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;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;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 157143412
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
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
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-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;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;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160932835
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-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;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;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 161675626
4-(Azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;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 162016971

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2nc(C)c(C(C)C)c(C(F)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1.
What is the InChIKey of 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?
The InChIKey is MLDAXNNRGWXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O.C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C12H18N2.C11H17N3.C11H12N2S.C11H12N2.C10H9F6N.C10H16N4O.C9H13NO2S.C6H7F3N2S/c1-9(2)12-10(3)19-14(20-13(12)15(16,17)18)22-7-5-21(6-8-22)11(4)23;1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)14-13(15-11(12)4)16-5-7-17-8-6-16;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-7(2)8-5-17-11(18-10(8)12(13,14)15)19-4-3-16-9(20)6-19;1-8(2)10-6-14-12(15-9(10)3)16-5-4-13-11(17)7-16;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h9H,5-8H2,1-4H3;3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;9H,5-8H2,1-4H3;3-10H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,16,20);6,8H,4-5,7H2,1-3H3,(H,13,17);7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);4-7H,1-3H3;3H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3888.92 g/mol, XLogP of 41.67, 35 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159598277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).