C151H145N37O22S2 — CID 158260377
N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea (PubChem CID 158260377) has the molecular formula C151H145N37O22S2 and a molecular weight of 2894.19 g/mol. Its IUPAC name is N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea.
| Compound Name | N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea |
|---|---|
| PubChem CID | 158260377 |
| Molecular Formula | C151H145N37O22S2 |
| Molecular Weight | 2894.19 g/mol |
| Exact Mass | 2892.08 |
| IUPAC Name | N-(4-amino-6-methoxypyrimidin-2-yl)-3-methoxybenzamide;N-(6-benzamido-2-pyridinyl)benzamide;N-[2-(benzenesulfonamido)pyrimidin-4-yl]benzenesulfonamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;1-methyl-3-[2-[[methyl(phenyl)carbamoyl]amino]pyrimidin-4-yl]-1-phenylurea;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea |
| SMILES | CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.CN(C(=O)Nc1ccnc(NC(=O)N(C)c2ccccc2)n1)c1ccccc1.COc1cccc(C(=O)Nc2nc(N)cc(OC)n2)c1.O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.O=S(=O)(Nc1ccnc(NS(=O)(=O)c2ccccc2)n1)c1ccccc1 |
| InChI | InChI=1S/C25H29N5O2.C22H23N5O3.C20H20N6O2.C19H15N3O2.C18H16N6O2.C18H14N4O4.C16H14N4O4S2.C13H14N4O3/c1-6-26-20-15-21(27-23(32)18-9-7-8-16(2)14-18)29-24(28-20)30-22(31)17-10-12-19(13-11-17)25(3,4)5;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;1-25(15-9-5-3-6-10-15)19(27)23-17-13-14-21-18(22-17)24-20(28)26(2)16-11-7-4-8-12-16;23-18(14-8-3-1-4-9-14)21-16-12-7-13-17(20-16)22-19(24)15-10-5-2-6-11-15;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;21-25(22,13-7-3-1-4-8-13)19-15-11-12-17-16(18-15)20-26(23,24)14-9-5-2-6-10-14;1-19-9-5-3-4-8(6-9)12(18)17-13-15-10(14)7-11(16-13)20-2/h7-15H,6H2,1-5H3,(H3,26,27,28,29,30,31,32);5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);3-14H,1-2H3,(H2,21,22,23,24,27,28);1-13H,(H2,20,21,22,23,24);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);1-12H,(H2,17,18,19,20);3-7H,1-2H3,(H3,14,15,16,17,18) |
| InChIKey | GHUNBMOPNNKUOW-UHFFFAOYSA-N |
| XLogP | 27.02 |
| TPSA | 790.76 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2894.19 |
| LogP ≤ 5 | 27.02 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 40 |