C150H167N39O10 — CID 158814092
1-[4-[4-(dimethylamino)butylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(2-hydroxyethoxy)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(propylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-pyridin-2-ylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 158814092) has the molecular formula C150H167N39O10 and a molecular weight of 2676.25 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)butylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(2-hydroxyethoxy)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(propylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-pyridin-2-ylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea.
| Compound Name | 1-[4-[4-(dimethylamino)butylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(2-hydroxyethoxy)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(propylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-pyridin-2-ylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea |
|---|---|
| PubChem CID | 158814092 |
| Molecular Formula | C150H167N39O10 |
| Molecular Weight | 2676.25 g/mol |
| Exact Mass | 2674.38 |
| IUPAC Name | 1-[4-[4-(dimethylamino)butylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(2-hydroxyethoxy)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(2-hydroxypropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(propylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-pyridin-2-ylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea |
| SMILES | CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCC(C)O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCC2CCCN(C)C2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCc2ccccn2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCOCCO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCc2ccccn2)nc(NC(=O)Nc2ccc3ccccc3c2)n1 |
| InChI | InChI=1S/C24H24N6O.C23H28N6O.C23H22N6O.C22H28N6O.C20H23N5O3.C19H21N5O2.C19H21N5O/c1-17-15-22(26-14-6-10-20-9-4-5-13-25-20)29-23(27-17)30-24(31)28-21-12-11-18-7-2-3-8-19(18)16-21;1-16-12-21(24-14-17-6-5-11-29(2)15-17)27-22(25-16)28-23(30)26-20-10-9-18-7-3-4-8-19(18)13-20;1-16-14-21(25-13-11-19-8-4-5-12-24-19)28-22(26-16)29-23(30)27-20-10-9-17-6-2-3-7-18(17)15-20;1-16-14-20(23-12-6-7-13-28(2)3)26-21(24-16)27-22(29)25-19-11-10-17-8-4-5-9-18(17)15-19;1-14-12-18(21-8-10-28-11-9-26)24-19(22-14)25-20(27)23-17-7-6-15-4-2-3-5-16(15)13-17;1-12-9-17(20-11-13(2)25)23-18(21-12)24-19(26)22-16-8-7-14-5-3-4-6-15(14)10-16;1-3-10-20-17-11-13(2)21-18(23-17)24-19(25)22-16-9-8-14-6-4-5-7-15(14)12-16/h2-5,7-9,11-13,15-16H,6,10,14H2,1H3,(H3,26,27,28,29,30,31);3-4,7-10,12-13,17H,5-6,11,14-15H2,1-2H3,(H3,24,25,26,27,28,30);2-10,12,14-15H,11,13H2,1H3,(H3,25,26,27,28,29,30);4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H3,23,24,25,26,27,29);2-7,12-13,26H,8-11H2,1H3,(H3,21,22,23,24,25,27);3-10,13,25H,11H2,1-2H3,(H3,20,21,22,23,24,26);4-9,11-12H,3,10H2,1-2H3,(H3,20,21,22,23,24,25) |
| InChIKey | IVAXIXUNECWIQH-UHFFFAOYSA-N |
| XLogP | 29.11 |
| TPSA | 634.53 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2676.25 |
| LogP ≤ 5 | 29.11 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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