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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea

C159H183FN46O12S — CID 159358301

IUPAC1-[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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1nc(NC(=O)Nc2ccc3ccccc3c2)ncc1F.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H24N6O2.C21H23N5O2.C20H23FN6O.2C20H24N6O.C20H23N5O3S.C19H22N6O.C18H20N6O/c1-14-12-19(23-11-5-10-22-15(2)28)26-20(24-14)27-21(29)25-18-9-8-16-6-3-4-7-17(16)13-18;1-14-12-19(22-11-5-6-15(2)27)25-20(23-14)26-21(28)24-18-10-9-16-7-3-4-8-17(16)13-18;1-27(2)11-5-10-22-18-17(21)13-23-19(25-18)26-20(28)24-16-9-8-14-6-3-4-7-15(14)12-16;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-26(2)13-5-11-21-18-10-12-22-19(24-18)25-20(27)23-17-9-8-15-6-3-4-7-16(15)14-17;1-14-12-18(21-10-5-11-29(2,27)28)24-19(22-14)25-20(26)23-17-9-8-15-6-3-4-7-16(15)13-17;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;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/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,28)(H3,23,24,25,26,27,29);3-4,7-10,12-13H,5-6,11H2,1-2H3,(H3,22,23,24,25,26,28);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3-4,6-10,12,14H,5,11,13H2,1-2H3,(H3,21,22,23,24,25,27);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,21,22,23,24,25,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyLIEYZOYJFSUZOS-UHFFFAOYSA-N
MW2981.59 g/mol
LogP28.58
Rot. Bonds52

About 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 159358301) has the molecular formula C159H183FN46O12S and a molecular weight of 2981.59 g/mol. Its IUPAC name is 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
PubChem CID159358301
Molecular FormulaC159H183FN46O12S
Molecular Weight2981.59 g/mol
Exact Mass2979.48
IUPAC Name1-[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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
SMILESCC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1nc(NC(=O)Nc2ccc3ccccc3c2)ncc1F.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H24N6O2.C21H23N5O2.C20H23FN6O.2C20H24N6O.C20H23N5O3S.C19H22N6O.C18H20N6O/c1-14-12-19(23-11-5-10-22-15(2)28)26-20(24-14)27-21(29)25-18-9-8-16-6-3-4-7-17(16)13-18;1-14-12-19(22-11-5-6-15(2)27)25-20(23-14)26-21(28)24-18-10-9-16-7-3-4-8-17(16)13-18;1-27(2)11-5-10-22-18-17(21)13-23-19(25-18)26-20(28)24-16-9-8-14-6-3-4-7-15(14)12-16;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-26(2)13-5-11-21-18-10-12-22-19(24-18)25-20(27)23-17-9-8-15-6-3-4-7-16(15)14-17;1-14-12-18(21-10-5-11-29(2,27)28)24-19(22-14)25-20(26)23-17-9-8-15-6-3-4-7-16(15)13-17;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;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/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,28)(H3,23,24,25,26,27,29);3-4,7-10,12-13H,5-6,11H2,1-2H3,(H3,22,23,24,25,26,28);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3-4,6-10,12,14H,5,11,13H2,1-2H3,(H3,21,22,23,24,25,27);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,21,22,23,24,25,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyLIEYZOYJFSUZOS-UHFFFAOYSA-N
XLogP28.58
TPSA773.59 Ų
H-Bond Donors27
H-Bond Acceptors41
Rotatable Bonds52
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002981.59
LogP ≤ 528.58
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea with MolForge

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Related Compounds

8-Ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159358363
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-(6-phenyl-3-pyridinyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-phenylphenyl)acetamide;2-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-methylidene-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide;methane
CID 157316967
2-chloro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
CID 157514640
1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 157599820
1-[4-(hexylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 157609033
7-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine;1-[4-[4-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]quinazolin-7-yl]piperazin-1-yl]ethanone
CID 157802322
N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 158321774
1-(1,1-Dioxothian-4-yl)-3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one;3-(4-fluorophenyl)-1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;methane;1-(2-methoxy-2-methylpropyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
CID 158409906
(1,1-Dioxothian-4-yl)-[2-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 158538953
1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea;N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
CID 158702561
[4-[[8-Amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide;1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one;methane
CID 159001812
1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-quinolin-6-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-quinolin-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-2-ylurea;N-[3-[[6-methyl-2-(quinolin-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
CID 159397338

Frequently Asked Questions

What is the IUPAC name of 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 159358301) is 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea is CC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1ccnc(NC(=O)Nc2ccc3ccccc3c2)n1.CN(C)CCCNc1nc(NC(=O)Nc2ccc3ccccc3c2)ncc1F.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?
The InChIKey is LIEYZOYJFSUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.C21H23N5O2.C20H23FN6O.2C20H24N6O.C20H23N5O3S.C19H22N6O.C18H20N6O/c1-14-12-19(23-11-5-10-22-15(2)28)26-20(24-14)27-21(29)25-18-9-8-16-6-3-4-7-17(16)13-18;1-14-12-19(22-11-5-6-15(2)27)25-20(23-14)26-21(28)24-18-10-9-16-7-3-4-8-17(16)13-18;1-27(2)11-5-10-22-18-17(21)13-23-19(25-18)26-20(28)24-16-9-8-14-6-3-4-7-15(14)12-16;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-26(2)13-5-11-21-18-10-12-22-19(24-18)25-20(27)23-17-9-8-15-6-3-4-7-16(15)14-17;1-14-12-18(21-10-5-11-29(2,27)28)24-19(22-14)25-20(26)23-17-9-8-15-6-3-4-7-16(15)13-17;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;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/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,28)(H3,23,24,25,26,27,29);3-4,7-10,12-13H,5-6,11H2,1-2H3,(H3,22,23,24,25,26,28);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);3-4,6-10,12,14H,5,11,13H2,1-2H3,(H3,21,22,23,24,25,27);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,21,22,23,24,25,26);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 2981.59 g/mol, XLogP of 28.58, 52 rotatable bonds, 27 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-5-fluoropyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;N-[3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 159358301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).