1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one

C174H231N25O23S5 — CID 158422324

IUPAC1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one
SMILESCC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCC(C)C(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)N(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCC(C)=O)cc2C)ncn1.CCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C27H36N4O4S.C26H35N3O2.C25H33N3O3S.C25H33N3O2.2C24H32N4O4S.C23H30N4O4S/c1-19-13-24(36(34,35)30(3)16-20(2)32)12-11-22(19)14-26(33)25-15-27(29-18-28-25)31(17-21-9-10-21)23-7-5-4-6-8-23;1-5-12-29(16-22-8-9-22)26-15-24(27-17-28-26)25(31)14-23-11-10-21(13-19(23)3)7-6-18(2)20(4)30;1-3-32(30,31)22-12-11-20(18(2)13-22)14-24(29)23-15-25(27-17-26-23)28(16-19-9-10-19)21-7-5-4-6-8-21;1-4-12-28(16-21-8-9-21)25-15-23(26-17-27-25)24(30)14-22-11-10-20(13-18(22)2)7-5-6-19(3)29;1-5-10-28(15-19-6-7-19)24-13-22(25-16-26-24)23(30)12-20-8-9-21(11-17(20)2)33(31,32)27(4)14-18(3)29;1-4-11-28(15-19-5-6-19)24-14-22(25-16-26-24)23(30)13-20-7-8-21(12-17(20)2)33(31,32)27-10-9-18(3)29;1-4-9-27(14-18-5-6-18)23-12-21(24-15-25-23)22(29)11-19-7-8-20(10-16(19)2)32(30,31)26-13-17(3)28/h11-13,15,18,21,23H,4-10,14,16-17H2,1-3H3;10-11,13,15,17-18,22H,5-9,12,14,16H2,1-4H3;11-13,15,17,19,21H,3-10,14,16H2,1-2H3;10-11,13,15,17,21H,4-9,12,14,16H2,1-3H3;8-9,11,13,16,19H,5-7,10,12,14-15H2,1-4H3;7-8,12,14,16,19,27H,4-6,9-11,13,15H2,1-3H3;7-8,10,12,15,18,26H,4-6,9,11,13-14H2,1-3H3
InChIKeyHAQDHHONMUSEGG-UHFFFAOYSA-N
MW3201.25 g/mol
LogP27.11
Rot. Bonds81

About 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one

1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one (PubChem CID 158422324) has the molecular formula C174H231N25O23S5 and a molecular weight of 3201.25 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one.

Molecular Properties

Compound Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one
PubChem CID158422324
Molecular FormulaC174H231N25O23S5
Molecular Weight3201.25 g/mol
Exact Mass3198.63
IUPAC Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one
SMILESCC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCC(C)C(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)N(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCC(C)=O)cc2C)ncn1.CCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C27H36N4O4S.C26H35N3O2.C25H33N3O3S.C25H33N3O2.2C24H32N4O4S.C23H30N4O4S/c1-19-13-24(36(34,35)30(3)16-20(2)32)12-11-22(19)14-26(33)25-15-27(29-18-28-25)31(17-21-9-10-21)23-7-5-4-6-8-23;1-5-12-29(16-22-8-9-22)26-15-24(27-17-28-26)25(31)14-23-11-10-21(13-19(23)3)7-6-18(2)20(4)30;1-3-32(30,31)22-12-11-20(18(2)13-22)14-24(29)23-15-25(27-17-26-23)28(16-19-9-10-19)21-7-5-4-6-8-21;1-4-12-28(16-21-8-9-21)25-15-23(26-17-27-25)24(30)14-22-11-10-20(13-18(22)2)7-5-6-19(3)29;1-5-10-28(15-19-6-7-19)24-13-22(25-16-26-24)23(30)12-20-8-9-21(11-17(20)2)33(31,32)27(4)14-18(3)29;1-4-11-28(15-19-5-6-19)24-14-22(25-16-26-24)23(30)13-20-7-8-21(12-17(20)2)33(31,32)27-10-9-18(3)29;1-4-9-27(14-18-5-6-18)23-12-21(24-15-25-23)22(29)11-19-7-8-20(10-16(19)2)32(30,31)26-13-17(3)28/h11-13,15,18,21,23H,4-10,14,16-17H2,1-3H3;10-11,13,15,17-18,22H,5-9,12,14,16H2,1-4H3;11-13,15,17,19,21H,3-10,14,16H2,1-2H3;10-11,13,15,17,21H,4-9,12,14,16H2,1-3H3;8-9,11,13,16,19H,5-7,10,12,14-15H2,1-4H3;7-8,12,14,16,19,27H,4-6,9-11,13,15H2,1-3H3;7-8,10,12,15,18,26H,4-6,9,11,13-14H2,1-3H3
InChIKeyHAQDHHONMUSEGG-UHFFFAOYSA-N
XLogP27.11
TPSA626.29 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds81
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003201.25
LogP ≤ 527.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one with MolForge

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Related Compounds

(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(4-methylsulfonylphenyl)but-3-en-2-one;4-[(E)-1-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxobut-1-en-2-yl]-N-cyclopropylbenzenesulfonamide;(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 161024447
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane
CID 157190285
4-[2-[6-[Bis(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;2-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]acetic acid;3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoic acid;4-[2-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-(dipropylamino)pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;3-methyl-4-[2-oxo-2-[6-[propan-2-yl(propyl)amino]pyrimidin-4-yl]ethyl]benzenesulfonamide
CID 157263487
2-[[4-[2-[6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonyl-methylamino]acetic acid;4-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]butanoic acid;4-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-2-methylbutanoic acid;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl]pyrrolidin-2-one;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]acetic acid;3-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoic acid;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 157869600
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylsulfonyl-2-methylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylsulfonyl-2-methylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(4-hydroxypent-4-enylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutan-2-ylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
CID 157979738
N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-1-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]ethanone;6-(cyclohexylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3-hydroxypentylsulfonyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 158619832
4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethylbenzenesulfonamide;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(2-methyl-4-propylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]butanoic acid
CID 159684677
4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(2-methyl-4-propylphenyl)ethanone;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(4-hydroxypent-4-enyl)-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;methane
CID 160039498
3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(4-methylphenyl)-4-propan-2-yl-1H-pyrimidin-6-one;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethenamine;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 161764088

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one?
The IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one (CID 158422324) is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one.
What is the SMILES notation for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one?
The canonical SMILES for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one is CC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCC(C)C(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CCCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)N(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCC(C)=O)cc2C)ncn1.CCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.
What is the InChIKey of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one?
The InChIKey is HAQDHHONMUSEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4S.C26H35N3O2.C25H33N3O3S.C25H33N3O2.2C24H32N4O4S.C23H30N4O4S/c1-19-13-24(36(34,35)30(3)16-20(2)32)12-11-22(19)14-26(33)25-15-27(29-18-28-25)31(17-21-9-10-21)23-7-5-4-6-8-23;1-5-12-29(16-22-8-9-22)26-15-24(27-17-28-26)25(31)14-23-11-10-21(13-19(23)3)7-6-18(2)20(4)30;1-3-32(30,31)22-12-11-20(18(2)13-22)14-24(29)23-15-25(27-17-26-23)28(16-19-9-10-19)21-7-5-4-6-8-21;1-4-12-28(16-21-8-9-21)25-15-23(26-17-27-25)24(30)14-22-11-10-20(13-18(22)2)7-5-6-19(3)29;1-5-10-28(15-19-6-7-19)24-13-22(25-16-26-24)23(30)12-20-8-9-21(11-17(20)2)33(31,32)27(4)14-18(3)29;1-4-11-28(15-19-5-6-19)24-14-22(25-16-26-24)23(30)13-20-7-8-21(12-17(20)2)33(31,32)27-10-9-18(3)29;1-4-9-27(14-18-5-6-18)23-12-21(24-15-25-23)22(29)11-19-7-8-20(10-16(19)2)32(30,31)26-13-17(3)28/h11-13,15,18,21,23H,4-10,14,16-17H2,1-3H3;10-11,13,15,17-18,22H,5-9,12,14,16H2,1-4H3;11-13,15,17,19,21H,3-10,14,16H2,1-2H3;10-11,13,15,17,21H,4-9,12,14,16H2,1-3H3;8-9,11,13,16,19H,5-7,10,12,14-15H2,1-4H3;7-8,12,14,16,19,27H,4-6,9-11,13,15H2,1-3H3;7-8,10,12,15,18,26H,4-6,9,11,13-14H2,1-3H3.
What are the key properties of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one?
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one has a molecular weight of 3201.25 g/mol, XLogP of 27.11, 81 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one is sourced from PubChem (CID 158422324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).