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

C161H216N26O23S6 — CID 159684677

IUPAC4-[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
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)ncn1.CCCc1ccc(CC(=O)c2cc(N(CCC)CC3CC3)ncn2)c(C)c1.CNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.COCCNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C26H36N4O4S.C24H32N4O5S.C24H32N4O3S.C23H32N4O4S.C23H31N3O.C21H28N4O3S.C20H25N3O3S/c1-19-14-23(35(32,33)29-12-13-34-2)11-10-21(19)15-25(31)24-16-26(28-18-27-24)30(17-20-8-9-20)22-6-4-3-5-7-22;1-3-11-28(15-18-6-7-18)23-14-21(25-16-26-23)22(29)13-19-8-9-20(12-17(19)2)34(32,33)27-10-4-5-24(30)31;1-17-12-21(32(30,31)25-2)11-10-19(17)13-23(29)22-14-24(27-16-26-22)28(15-18-8-9-18)20-6-4-3-5-7-20;1-4-10-27(15-18-5-6-18)23-14-21(24-16-25-23)22(28)13-19-7-8-20(12-17(19)2)32(29,30)26-9-11-31-3;1-4-6-18-9-10-20(17(3)12-18)13-22(27)21-14-23(25-16-24-21)26(11-5-2)15-19-7-8-19;1-4-9-25(13-16-5-6-16)21-12-19(23-14-24-21)20(26)11-17-7-8-18(10-15(17)2)29(27,28)22-3;1-3-10-23(13-16-4-5-16)20-12-18(21-14-22-20)19(24)11-15-6-8-17(9-7-15)27(2,25)26/h10-11,14,16,18,20,22,29H,3-9,12-13,15,17H2,1-2H3;8-9,12,14,16,18,27H,3-7,10-11,13,15H2,1-2H3,(H,30,31);10-12,14,16,18,20,25H,3-9,13,15H2,1-2H3;7-8,12,14,16,18,26H,4-6,9-11,13,15H2,1-3H3;9-10,12,14,16,19H,4-8,11,13,15H2,1-3H3;7-8,10,12,14,16,22H,4-6,9,11,13H2,1-3H3;6-9,12,14,16H,3-5,10-11,13H2,1-2H3
InChIKeyMVQGOYURTDPYIC-UHFFFAOYSA-N
MW3076.06 g/mol
LogP23.56
Rot. Bonds77

About 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

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 (PubChem CID 159684677) has the molecular formula C161H216N26O23S6 and a molecular weight of 3076.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159684677
Molecular FormulaC161H216N26O23S6
Molecular Weight3076.06 g/mol
Exact Mass3073.49
IUPAC Name4-[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
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)ncn1.CCCc1ccc(CC(=O)c2cc(N(CCC)CC3CC3)ncn2)c(C)c1.CNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.COCCNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C26H36N4O4S.C24H32N4O5S.C24H32N4O3S.C23H32N4O4S.C23H31N3O.C21H28N4O3S.C20H25N3O3S/c1-19-14-23(35(32,33)29-12-13-34-2)11-10-21(19)15-25(31)24-16-26(28-18-27-24)30(17-20-8-9-20)22-6-4-3-5-7-22;1-3-11-28(15-18-6-7-18)23-14-21(25-16-26-23)22(29)13-19-8-9-20(12-17(19)2)34(32,33)27-10-4-5-24(30)31;1-17-12-21(32(30,31)25-2)11-10-19(17)13-23(29)22-14-24(27-16-26-22)28(15-18-8-9-18)20-6-4-3-5-7-20;1-4-10-27(15-18-5-6-18)23-14-21(24-16-25-23)22(28)13-19-7-8-20(12-17(19)2)32(29,30)26-9-11-31-3;1-4-6-18-9-10-20(17(3)12-18)13-22(27)21-14-23(25-16-24-21)26(11-5-2)15-19-7-8-19;1-4-9-25(13-16-5-6-16)21-12-19(23-14-24-21)20(26)11-17-7-8-18(10-15(17)2)29(27,28)22-3;1-3-10-23(13-16-4-5-16)20-12-18(21-14-22-20)19(24)11-15-6-8-17(9-7-15)27(2,25)26/h10-11,14,16,18,20,22,29H,3-9,12-13,15,17H2,1-2H3;8-9,12,14,16,18,27H,3-7,10-11,13,15H2,1-2H3,(H,30,31);10-12,14,16,18,20,25H,3-9,13,15H2,1-2H3;7-8,12,14,16,18,26H,4-6,9-11,13,15H2,1-3H3;9-10,12,14,16,19H,4-8,11,13,15H2,1-3H3;7-8,10,12,14,16,22H,4-6,9,11,13H2,1-3H3;6-9,12,14,16H,3-5,10-11,13H2,1-2H3
InChIKeyMVQGOYURTDPYIC-UHFFFAOYSA-N
XLogP23.56
TPSA643.38 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds77
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.06
LogP ≤ 523.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-6-methylcyclohexa-2,4-dien-1-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-6-methylcyclohexa-2,4-dien-1-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(4-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide;hydrate
CID 159306678
N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[bis(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[cyclopentyl(2-methylpropyl)amino]pyrimidine-4-carboxamide;N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[propan-2-yl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(4-hydroxypent-4-enylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
CID 160032612
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
4-[2-[2-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]-2-oxoethyl]benzenesulfonamide;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[5-[(dimethylamino)methyl]-2-pyridinyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(4-hydroxybutyl)-2-methylphenyl]ethanone;N-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methyl]acetamide;N-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methyl]-3-methoxypropanamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]-2-phenylpyrimidin-4-yl]-2-oxoethyl]benzenesulfonamide
CID 160149404
2-[4-(Aminomethyl)-2-methylphenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-[(dimethylamino)methyl]-2-methylphenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(4-methoxybutyl)-2-methylphenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[2-methyl-4-(methylaminomethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]ethanone;6-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]hexanoic acid
CID 160260869

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)ncn1.CCCc1ccc(CC(=O)c2cc(N(CCC)CC3CC3)ncn2)c(C)c1.CNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.COCCNS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is MVQGOYURTDPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S.C24H32N4O5S.C24H32N4O3S.C23H32N4O4S.C23H31N3O.C21H28N4O3S.C20H25N3O3S/c1-19-14-23(35(32,33)29-12-13-34-2)11-10-21(19)15-25(31)24-16-26(28-18-27-24)30(17-20-8-9-20)22-6-4-3-5-7-22;1-3-11-28(15-18-6-7-18)23-14-21(25-16-26-23)22(29)13-19-8-9-20(12-17(19)2)34(32,33)27-10-4-5-24(30)31;1-17-12-21(32(30,31)25-2)11-10-19(17)13-23(29)22-14-24(27-16-26-22)28(15-18-8-9-18)20-6-4-3-5-7-20;1-4-10-27(15-18-5-6-18)23-14-21(24-16-25-23)22(28)13-19-7-8-20(12-17(19)2)32(29,30)26-9-11-31-3;1-4-6-18-9-10-20(17(3)12-18)13-22(27)21-14-23(25-16-24-21)26(11-5-2)15-19-7-8-19;1-4-9-25(13-16-5-6-16)21-12-19(23-14-24-21)20(26)11-17-7-8-18(10-15(17)2)29(27,28)22-3;1-3-10-23(13-16-4-5-16)20-12-18(21-14-22-20)19(24)11-15-6-8-17(9-7-15)27(2,25)26/h10-11,14,16,18,20,22,29H,3-9,12-13,15,17H2,1-2H3;8-9,12,14,16,18,27H,3-7,10-11,13,15H2,1-2H3,(H,30,31);10-12,14,16,18,20,25H,3-9,13,15H2,1-2H3;7-8,12,14,16,18,26H,4-6,9-11,13,15H2,1-3H3;9-10,12,14,16,19H,4-8,11,13,15H2,1-3H3;7-8,10,12,14,16,22H,4-6,9,11,13H2,1-3H3;6-9,12,14,16H,3-5,10-11,13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3076.06 g/mol, XLogP of 23.56, 77 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159684677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).