1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride

C138H176Cl9N43O10 — CID 163513936

IUPAC1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride
SMILESCCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCCCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCN(C)CC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCNC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cl
InChIInChI=1S/2C18H23ClN6O.C18H25ClN6O.C18H22ClN5O.C18H24ClN5O.C17H20ClN5O2.C16H20ClN5O2.C15H18ClN5O.ClH/c1-12-10-14(4-5-15(12)19)21-18(26)23-17-20-13(2)11-16(22-17)25-8-6-24(3)7-9-25;1-11-8-13(5-6-15(11)19)23-18(26)25-17-21-12(2)9-16(24-17)22-14-4-3-7-20-10-14;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-12-10-14(6-7-15(12)19)21-18(25)23-17-20-13(2)11-16(22-17)24-8-4-3-5-9-24;1-5-6-9-24(4)16-11-13(3)20-17(22-16)23-18(25)21-14-7-8-15(19)12(2)10-14;1-11-9-13(3-4-14(11)18)20-17(24)22-16-19-12(2)10-15(21-16)23-5-7-25-8-6-23;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-9-7-11(5-6-12(9)16)18-15(22)20-14-17-10(2)8-13(19-14)21(3)4;/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23,26);5-6,8-9,14,20H,3-4,7,10H2,1-2H3,(H3,21,22,23,24,25,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,22,23,25);7-8,10-11H,5-6,9H2,1-4H3,(H2,20,21,22,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);5-8H,1-4H3,(H2,17,18,19,20,22);1H
InChIKeyZUMZYKODFJARQP-UHFFFAOYSA-N
MW2916.29 g/mol
LogP29.75
Rot. Bonds35

About 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride

1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride (PubChem CID 163513936) has the molecular formula C138H176Cl9N43O10 and a molecular weight of 2916.29 g/mol. Its IUPAC name is 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride.

Molecular Properties

Compound Name1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride
PubChem CID163513936
Molecular FormulaC138H176Cl9N43O10
Molecular Weight2916.29 g/mol
Exact Mass2910.18
IUPAC Name1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride
SMILESCCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCCCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCN(C)CC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCNC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cl
InChIInChI=1S/2C18H23ClN6O.C18H25ClN6O.C18H22ClN5O.C18H24ClN5O.C17H20ClN5O2.C16H20ClN5O2.C15H18ClN5O.ClH/c1-12-10-14(4-5-15(12)19)21-18(26)23-17-20-13(2)11-16(22-17)25-8-6-24(3)7-9-25;1-11-8-13(5-6-15(11)19)23-18(26)25-17-21-12(2)9-16(24-17)22-14-4-3-7-20-10-14;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-12-10-14(6-7-15(12)19)21-18(25)23-17-20-13(2)11-16(22-17)24-8-4-3-5-9-24;1-5-6-9-24(4)16-11-13(3)20-17(22-16)23-18(25)21-14-7-8-15(19)12(2)10-14;1-11-9-13(3-4-14(11)18)20-17(24)22-16-19-12(2)10-15(21-16)23-5-7-25-8-6-23;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-9-7-11(5-6-12(9)16)18-15(22)20-14-17-10(2)8-13(19-14)21(3)4;/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23,26);5-6,8-9,14,20H,3-4,7,10H2,1-2H3,(H3,21,22,23,24,25,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,22,23,25);7-8,10-11H,5-6,9H2,1-4H3,(H2,20,21,22,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);5-8H,1-4H3,(H2,17,18,19,20,22);1H
InChIKeyZUMZYKODFJARQP-UHFFFAOYSA-N
XLogP29.75
TPSA635.54 Ų
H-Bond Donors21
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002916.29
LogP ≤ 529.75
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride with MolForge

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Related Compounds

1-[2-[2-[2-[4-[3-[6-Chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[4-[3-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethylcarbamoylamino]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]urea
CID 134155307
1-[4-Amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-chloro-4-methylphenyl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-(3-chloro-4-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-(3-chloro-4-methylphenyl)-3-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
CID 159714738
1-[4-[Butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-4-yloxypyrimidin-2-yl)urea;hydrochloride
CID 157109039
tert-butyl 2-chloro-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 157522471
2-[2-[4-[6-amino-2-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;2-[2-[4-[6-amino-2-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;N'-cyclohexyl-N-[2-[2-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;N'-cyclohexyl-N-[2-[2-[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;2-N-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]methyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine;6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-N-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 157606564
N-[4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)phenyl]acetamide;N-[4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)phenyl]acetamide;N-[4-(2,6-dichloropyrimidin-4-yl)phenyl]acetamide;morpholine
CID 157919298
2-[2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 158179666
(2S)-2-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]propan-1-ol;4-(2,6-dichloropyrimidin-4-yl)morpholine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 158427330
(2R)-2-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]propan-1-ol;4-(2,6-dichloropyrimidin-4-yl)morpholine;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 158427331
1-(4-Chloro-3-methylphenyl)-2-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]guanidine;methane
CID 158471986
1-(4-chloro-3-methylphenyl)-2-[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-[(1-ethylpiperidin-4-yl)amino]-6-methylpyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(piperidin-4-ylamino)pyrimidin-2-yl]guanidine;1-(4-chloro-3-methylphenyl)-2-[4-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]guanidine
CID 158584191
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine
CID 158853682

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride?
The IUPAC name of 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride (CID 163513936) is 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride.
What is the SMILES notation for 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride?
The canonical SMILES for 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride is CCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCCCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCN(C)CC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(N2CCOCC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NC2CCCNC2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCO)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cl.
What is the InChIKey of 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride?
The InChIKey is ZUMZYKODFJARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23ClN6O.C18H25ClN6O.C18H22ClN5O.C18H24ClN5O.C17H20ClN5O2.C16H20ClN5O2.C15H18ClN5O.ClH/c1-12-10-14(4-5-15(12)19)21-18(26)23-17-20-13(2)11-16(22-17)25-8-6-24(3)7-9-25;1-11-8-13(5-6-15(11)19)23-18(26)25-17-21-12(2)9-16(24-17)22-14-4-3-7-20-10-14;1-12-10-14(6-7-15(12)19)22-18(26)24-17-21-13(2)11-16(23-17)20-8-5-9-25(3)4;1-12-10-14(6-7-15(12)19)21-18(25)23-17-20-13(2)11-16(22-17)24-8-4-3-5-9-24;1-5-6-9-24(4)16-11-13(3)20-17(22-16)23-18(25)21-14-7-8-15(19)12(2)10-14;1-11-9-13(3-4-14(11)18)20-17(24)22-16-19-12(2)10-15(21-16)23-5-7-25-8-6-23;1-10-8-12(4-5-13(10)17)20-16(24)22-15-19-11(2)9-14(21-15)18-6-3-7-23;1-9-7-11(5-6-12(9)16)18-15(22)20-14-17-10(2)8-13(19-14)21(3)4;/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23,26);5-6,8-9,14,20H,3-4,7,10H2,1-2H3,(H3,21,22,23,24,25,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,22,23,25);7-8,10-11H,5-6,9H2,1-4H3,(H2,20,21,22,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,24);4-5,8-9,23H,3,6-7H2,1-2H3,(H3,18,19,20,21,22,24);5-8H,1-4H3,(H2,17,18,19,20,22);1H.
What are the key properties of 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride?
1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride has a molecular weight of 2916.29 g/mol, XLogP of 29.75, 35 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(methyl)amino]-6-methylpyrimidin-2-yl]-3-(4-chloro-3-methylphenyl)urea;1-(4-chloro-3-methylphenyl)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)urea;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)urea;hydrochloride is sourced from PubChem (CID 163513936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).