C140H112Cl10F6N30O14 — CID 160618236
6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 160618236) has the molecular formula C140H112Cl10F6N30O14 and a molecular weight of 2907.15 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide.
| Compound Name | 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide |
|---|---|
| PubChem CID | 160618236 |
| Molecular Formula | C140H112Cl10F6N30O14 |
| Molecular Weight | 2907.15 g/mol |
| Exact Mass | 2900.58 |
| IUPAC Name | 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide |
| SMILES | Cc1ccc(C(=O)Cc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccn2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccnc2)cc1NC(=O)c1ncnc(N)c1Cl |
| InChI | InChI=1S/C21H15Cl2F3N4O2.C21H16ClF3N4O2.2C20H16Cl2N4O2.C20H17ClN4O2.2C19H16ClN5O2/c1-10-2-4-12(8-15(10)30-20(32)18-17(23)19(27)29-9-28-18)16(31)7-11-3-5-14(22)13(6-11)21(24,25)26;1-11-5-6-13(16(30)8-12-3-2-4-14(7-12)21(23,24)25)9-15(11)29-20(31)18-17(22)19(26)28-10-27-18;1-11-2-5-13(16(27)8-12-3-6-14(21)7-4-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-11-5-6-13(16(27)8-12-3-2-4-14(21)7-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-12-7-8-14(16(26)9-13-5-3-2-4-6-13)10-15(12)25-20(27)18-17(21)19(22)24-11-23-18;1-11-4-5-13(15(26)7-12-3-2-6-22-9-12)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-11-5-6-12(15(26)9-13-4-2-3-7-22-13)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17/h2-6,8-9H,7H2,1H3,(H,30,32)(H2,27,28,29);2-7,9-10H,8H2,1H3,(H,29,31)(H2,26,27,28);2*2-7,9-10H,8H2,1H3,(H,26,28)(H2,23,24,25);2-8,10-11H,9H2,1H3,(H,25,27)(H2,22,23,24);2-6,8-10H,7H2,1H3,(H,25,27)(H2,21,23,24);2-8,10H,9H2,1H3,(H,25,27)(H2,21,23,24) |
| InChIKey | RGJFXJFYNYPFHC-UHFFFAOYSA-N |
| XLogP | 28.68 |
| TPSA | 711.57 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2907.15 |
| LogP ≤ 5 | 28.68 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 37 |