C186H239Cl6FN58O13 — CID 159521715
1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;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]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-3-yloxypyrimidin-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea (PubChem CID 159521715) has the molecular formula C186H239Cl6FN58O13 and a molecular weight of 3727.07 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;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]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-3-yloxypyrimidin-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea.
| Compound Name | 1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;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]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-3-yloxypyrimidin-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea |
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| PubChem CID | 159521715 |
| Molecular Formula | C186H239Cl6FN58O13 |
| Molecular Weight | 3727.07 g/mol |
| Exact Mass | 3721.79 |
| IUPAC Name | 1-(4-chloro-3-methylphenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]imidazolidin-2-one;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]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]imidazolidin-2-one;1-(4-chloro-3-methylphenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea;1-(4-chloro-3-methylphenyl)-3-(4-methyl-6-pyridin-3-yloxypyrimidin-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-fluoro-3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(2-methoxy-4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(4-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-phenylurea |
| SMILES | CCN1CCCC(Nc2cc(C)nc(N3CCN(c4ccc(Cl)c(C)c4)C3=O)n2)C1.COc1cc(C)ccc1NC(=O)Nc1nc(C)cc(NCCCN(C)C)n1.Cc1cc(NCCCN(C)C)nc(N2CCN(c3ccc(Cl)c(C)c3)C2=O)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc(F)c(C)c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccccc2)n1.Cc1cc(NCCCO)nc(N2CCN(c3ccc(Cl)c(C)c3)C2=O)n1.Cc1cc(Nc2ccncc2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1cc(Oc2cccnc2)nc(NC(=O)Nc2ccc(Cl)c(C)c2)n1.Cc1ccc(NC(=O)Nc2nc(C)cc(NCCCN(C)C)n2)cc1 |
| InChI | InChI=1S/C22H29ClN6O.C20H27ClN6O.C19H28N6O2.C18H17ClN6O.C18H25ClN6O.C18H22ClN5O2.C18H16ClN5O2.C18H25FN6O.C18H26N6O.C17H24N6O/c1-4-27-9-5-6-17(14-27)25-20-13-16(3)24-21(26-20)29-11-10-28(22(29)30)18-7-8-19(23)15(2)12-18;1-14-12-16(6-7-17(14)21)26-10-11-27(20(26)28)19-23-15(2)13-18(24-19)22-8-5-9-25(3)4;1-13-7-8-15(16(11-13)27-5)22-19(26)24-18-21-14(2)12-17(23-18)20-9-6-10-25(3)4;1-11-9-14(3-4-15(11)19)23-18(26)25-17-21-12(2)10-16(24-17)22-13-5-7-20-8-6-13;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(4-5-15(12)19)23-7-8-24(18(23)26)17-21-13(2)11-16(22-17)20-6-3-9-25;1-11-8-13(5-6-15(11)19)22-18(25)24-17-21-12(2)9-16(23-17)26-14-4-3-7-20-10-14;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;1-13-6-8-15(9-7-13)21-18(25)23-17-20-14(2)12-16(22-17)19-10-5-11-24(3)4;1-13-12-15(18-10-7-11-23(2)3)21-16(19-13)22-17(24)20-14-8-5-4-6-9-14/h7-8,12-13,17H,4-6,9-11,14H2,1-3H3,(H,24,25,26);6-7,12-13H,5,8-11H2,1-4H3,(H,22,23,24);7-8,11-12H,6,9-10H2,1-5H3,(H3,20,21,22,23,24,26);3-10H,1-2H3,(H3,20,21,22,23,24,25,26);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);4-5,10-11,25H,3,6-9H2,1-2H3,(H,20,21,22);3-10H,1-2H3,(H2,21,22,23,24,25);6-7,10-11H,5,8-9H2,1-4H3,(H3,20,21,22,23,24,26);6-9,12H,5,10-11H2,1-4H3,(H3,19,20,21,22,23,25);4-6,8-9,12H,7,10-11H2,1-3H3,(H3,18,19,20,21,22,24) |
| InChIKey | MBWRBZQNKOHGHO-UHFFFAOYSA-N |
| XLogP | 35.74 |
| TPSA | 811.78 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 264 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3727.07 |
| LogP ≤ 5 | 35.74 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 51 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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