4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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

C140H184F5N33O8S — CID 159672329

IUPAC4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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
SMILESCC(=O)N1CCN(c2ncc(C(C)C)c(C(C)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2cccc3c2CN(C)C3=O)nc1.CC(C)c1cnc(-c2cccc3c2CNC3=O)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(C)n1.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1
InChIInChI=1S/C16H17N3O.C15H22F2N4O.C15H15N3O.C14H15N3O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C11H17N3.C10H16N4O.C9H14N2/c1-10(2)11-7-17-15(18-8-11)12-5-4-6-13-14(12)9-19(3)16(13)20;1-10(2)12-9-18-14(19-13(12)15(4,16)17)21-7-5-20(6-8-21)11(3)22;1-9(2)10-6-16-14(17-7-10)11-4-3-5-12-13(11)8-18-15(12)19;1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;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;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-6(2)9-5-10-8(4)11-7(9)3/h4-8,10H,9H2,1-3H3;9-10H,5-8H2,1-4H3;3-7,9H,8H2,1-2H3,(H,18,19);3-9H,1-2H3,(H2,15,18);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);7-8H,4-6H2,1-3H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);5-6H,1-4H3
InChIKeyMUDPRHRLCGDXPJ-UHFFFAOYSA-N
MW2584.29 g/mol
LogP24.24
Rot. Bonds25

About 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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

4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 (PubChem CID 159672329) has the molecular formula C140H184F5N33O8S and a molecular weight of 2584.29 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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
PubChem CID159672329
Molecular FormulaC140H184F5N33O8S
Molecular Weight2584.29 g/mol
Exact Mass2582.46
IUPAC Name4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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
SMILESCC(=O)N1CCN(c2ncc(C(C)C)c(C(C)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2cccc3c2CN(C)C3=O)nc1.CC(C)c1cnc(-c2cccc3c2CNC3=O)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(C)n1.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1
InChIInChI=1S/C16H17N3O.C15H22F2N4O.C15H15N3O.C14H15N3O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C11H17N3.C10H16N4O.C9H14N2/c1-10(2)11-7-17-15(18-8-11)12-5-4-6-13-14(12)9-19(3)16(13)20;1-10(2)12-9-18-14(19-13(12)15(4,16)17)21-7-5-20(6-8-21)11(3)22;1-9(2)10-6-16-14(17-7-10)11-4-3-5-12-13(11)8-18-15(12)19;1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;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;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-6(2)9-5-10-8(4)11-7(9)3/h4-8,10H,9H2,1-3H3;9-10H,5-8H2,1-4H3;3-7,9H,8H2,1-2H3,(H,18,19);3-9H,1-2H3,(H2,15,18);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);7-8H,4-6H2,1-3H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);5-6H,1-4H3
InChIKeyMUDPRHRLCGDXPJ-UHFFFAOYSA-N
XLogP24.24
TPSA509.36 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.29
LogP ≤ 524.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 with MolForge

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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-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 157609506
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[5-methyl-1-(5-methylthiophen-2-yl)imidazol-4-yl]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-[4-methyl-6-(1-methylpiperidin-2-yl)-3-pyridinyl]-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-fluoro-4-piperidin-4-ylanilino)-6-[2-methyl-4-(1-methylpiperidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;tetrahydrate
CID 158734580
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 160181848
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-[(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 160561814
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 160747240
2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-piperidin-4-yl-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 161452297
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
8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide
CID 162136151
4-methyl-3-[(3S)-1-[6-(morpholine-4-carbonyl)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176067
4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-phenylethanone
CID 124034977
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 160595288

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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?
The IUPAC name of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 (CID 159672329) is 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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.
What is the SMILES notation for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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?
The canonical SMILES for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 is CC(=O)N1CCN(c2ncc(C(C)C)c(C(C)(F)F)n2)CC1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2cccc3c2CN(C)C3=O)nc1.CC(C)c1cnc(-c2cccc3c2CNC3=O)nc1.CC(C)c1cnc(N2CCNC(=O)C2)nc1C(F)(F)F.Cc1nc(N2CCNC(=O)C2)ncc1C(C)C.Cc1nc(N2CCOCC2)nc(C)c1C(C)C.Cc1ncc(C(C)C)c(C)n1.Cc1ncc(C(C)C)c(N2CCC2)n1.Cc1ncc(C(C)C)c(NCC(N)=O)n1.
What is the InChIKey of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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?
The InChIKey is MUDPRHRLCGDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.C15H22F2N4O.C15H15N3O.C14H15N3O.C13H21N3O.C13H14S.C12H15F3N4O.C12H18N4O.C11H17N3.C10H16N4O.C9H14N2/c1-10(2)11-7-17-15(18-8-11)12-5-4-6-13-14(12)9-19(3)16(13)20;1-10(2)12-9-18-14(19-13(12)15(4,16)17)21-7-5-20(6-8-21)11(3)22;1-9(2)10-6-16-14(17-7-10)11-4-3-5-12-13(11)8-18-15(12)19;1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;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;1-8(2)10-7-12-9(3)13-11(10)14-5-4-6-14;1-6(2)8-4-12-7(3)14-10(8)13-5-9(11)15;1-6(2)9-5-10-8(4)11-7(9)3/h4-8,10H,9H2,1-3H3;9-10H,5-8H2,1-4H3;3-7,9H,8H2,1-2H3,(H,18,19);3-9H,1-2H3,(H2,15,18);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);7-8H,4-6H2,1-3H3;4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14);5-6H,1-4H3.
What are the key properties of 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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?
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 has a molecular weight of 2584.29 g/mol, XLogP of 24.24, 25 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;1-[4-[4-(1,1-difluoroethyl)-5-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone;2,4-dimethyl-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;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-(5-propan-2-ylpyrimidin-2-yl)benzamide;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 is sourced from PubChem (CID 159672329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).