1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea

C155H180N46O10 — CID 157424644

IUPAC1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCN(C)CCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CNCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.O=C(Nc1ccc2ccccc2c1)Nc1nccc(NCCCCO)n1
InChIInChI=1S/2C21H26N6O.C20H24N6O.2C19H22N6O.C19H21N5O2.C18H20N6O.C18H19N5O2/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-15-13-19(27(3)12-6-11-22-2)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-14-12-18(22-11-5-4-10-21)25-19(23-14)26-20(27)24-17-9-8-15-6-2-3-7-16(15)13-17;1-25(2)12-11-20-17-9-10-21-18(23-17)24-19(26)22-16-8-7-14-5-3-4-6-15(14)13-16;1-13-11-17(21-10-4-9-20)24-18(22-13)25-19(26)23-16-8-7-14-5-2-3-6-15(14)12-16;25-12-4-3-10-20-17-9-11-21-18(23-17)24-19(26)22-16-8-7-14-5-1-2-6-15(14)13-16;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-12-10-16(19-8-9-24)22-17(20-12)23-18(25)21-15-7-6-13-4-2-3-5-14(13)11-15/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);4-5,7-10,13-14,22H,6,11-12H2,1-3H3,(H2,23,24,25,26,28);2-3,6-9,12-13H,4-5,10-11,21H2,1H3,(H3,22,23,24,25,26,27);3-10,13H,11-12H2,1-2H3,(H3,20,21,22,23,24,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);1-2,5-9,11,13,25H,3-4,10,12H2,(H3,20,21,22,23,24,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-7,10-11,24H,8-9H2,1H3,(H3,19,20,21,22,23,25)
InChIKeyBPUXLANTLHFHMB-UHFFFAOYSA-N
MW2847.46 g/mol
LogP27.29
Rot. Bonds50

About 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea

1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 157424644) has the molecular formula C155H180N46O10 and a molecular weight of 2847.46 g/mol. Its IUPAC name is 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
PubChem CID157424644
Molecular FormulaC155H180N46O10
Molecular Weight2847.46 g/mol
Exact Mass2845.50
IUPAC Name1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCN(C)CCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CNCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.O=C(Nc1ccc2ccccc2c1)Nc1nccc(NCCCCO)n1
InChIInChI=1S/2C21H26N6O.C20H24N6O.2C19H22N6O.C19H21N5O2.C18H20N6O.C18H19N5O2/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-15-13-19(27(3)12-6-11-22-2)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-14-12-18(22-11-5-4-10-21)25-19(23-14)26-20(27)24-17-9-8-15-6-2-3-7-16(15)13-17;1-25(2)12-11-20-17-9-10-21-18(23-17)24-19(26)22-16-8-7-14-5-3-4-6-15(14)13-16;1-13-11-17(21-10-4-9-20)24-18(22-13)25-19(26)23-16-8-7-14-5-2-3-6-15(14)12-16;25-12-4-3-10-20-17-9-11-21-18(23-17)24-19(26)22-16-8-7-14-5-1-2-6-15(14)13-16;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-12-10-16(19-8-9-24)22-17(20-12)23-18(25)21-15-7-6-13-4-2-3-5-14(13)11-15/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);4-5,7-10,13-14,22H,6,11-12H2,1-3H3,(H2,23,24,25,26,28);2-3,6-9,12-13H,4-5,10-11,21H2,1H3,(H3,22,23,24,25,26,27);3-10,13H,11-12H2,1-2H3,(H3,20,21,22,23,24,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);1-2,5-9,11,13,25H,3-4,10,12H2,(H3,20,21,22,23,24,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-7,10-11,24H,8-9H2,1H3,(H3,19,20,21,22,23,25)
InChIKeyBPUXLANTLHFHMB-UHFFFAOYSA-N
XLogP27.29
TPSA759.76 Ų
H-Bond Donors29
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.46
LogP ≤ 527.29
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea with MolForge

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Related Compounds

4-[[2-(hexan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(5-hydroxypentan-2-ylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]-2-[[(2R)-1,1,1-trifluoropentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-[5-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]-2-[[(2S)-pentan-2-yl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[(2S)-pentan-2-yl]amino]-5-[5-[(1-propan-2-ylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 157178366
1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(2-aminopyrimidin-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-(2-hydroxyethyl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 158472705
1-[4-(Butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 158754352
3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 158838047
1-[4-Amino-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
CID 159020278
3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 159487358
1-(4-Amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(3-methylisoquinolin-6-yl)urea;1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea;1-[4-(methoxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(3-methylisoquinolin-6-yl)urea
CID 159583199
4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;N-(4-dimethylphosphorylphenyl)-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160772053
1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 162291057
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(1,3,5-triazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 87494360
N-[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]formamide
CID 87742066
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-2-pyridinyl]prop-2-enamide;N-[4-[2-(4-morpholin-4-ylanilino)quinazolin-8-yl]-2-pyridinyl]prop-2-enamide;N-[4-[2-(4-piperazin-1-ylanilino)quinazolin-8-yl]-2-pyridinyl]prop-2-enamide
CID 117909962

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 157424644) is 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea is CN(C)CCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CNCCCN(C)c1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.O=C(Nc1ccc2ccccc2c1)Nc1nccc(NCCCCO)n1.
What is the InChIKey of 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The InChIKey is BPUXLANTLHFHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26N6O.C20H24N6O.2C19H22N6O.C19H21N5O2.C18H20N6O.C18H19N5O2/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-15-13-19(27(3)12-6-11-22-2)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-14-12-18(22-11-5-4-10-21)25-19(23-14)26-20(27)24-17-9-8-15-6-2-3-7-16(15)13-17;1-25(2)12-11-20-17-9-10-21-18(23-17)24-19(26)22-16-8-7-14-5-3-4-6-15(14)13-16;1-13-11-17(21-10-4-9-20)24-18(22-13)25-19(26)23-16-8-7-14-5-2-3-6-15(14)12-16;25-12-4-3-10-20-17-9-11-21-18(23-17)24-19(26)22-16-8-7-14-5-1-2-6-15(14)13-16;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-12-10-16(19-8-9-24)22-17(20-12)23-18(25)21-15-7-6-13-4-2-3-5-14(13)11-15/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);4-5,7-10,13-14,22H,6,11-12H2,1-3H3,(H2,23,24,25,26,28);2-3,6-9,12-13H,4-5,10-11,21H2,1H3,(H3,22,23,24,25,26,27);3-10,13H,11-12H2,1-2H3,(H3,20,21,22,23,24,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);1-2,5-9,11,13,25H,3-4,10,12H2,(H3,20,21,22,23,24,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);2-7,10-11,24H,8-9H2,1H3,(H3,19,20,21,22,23,25).
What are the key properties of 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?
1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 2847.46 g/mol, XLogP of 27.29, 50 rotatable bonds, 29 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(4-hydroxybutylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxyethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[methyl-[3-(methylamino)propyl]amino]pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 157424644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).