C120H109ClF15N25 — CID 158750146
6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158750146) has the molecular formula C120H109ClF15N25 and a molecular weight of 2221.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
| Compound Name | 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine |
|---|---|
| PubChem CID | 158750146 |
| Molecular Formula | C120H109ClF15N25 |
| Molecular Weight | 2221.79 g/mol |
| Exact Mass | 2219.87 |
| IUPAC Name | 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine |
| SMILES | Cc1ccc(CCNc2nc(C(F)F)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(C(F)F)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3c(F)cc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(Cl)cc23)cc1.Cc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3)c2c1 |
| InChI | InChI=1S/C18H16F3N3.C18H17F2N3.2C17H15F3N4.C17H16F2N4.C17H15F2N3.C16H15ClN4/c1-11-2-4-12(5-3-11)8-9-22-17-14-10-13(19)6-7-15(14)23-18(24-17)16(20)21;1-12-2-4-13(5-3-12)8-9-21-18-15-10-14(20)6-7-16(15)22-17(11-19)23-18;1-11-8-14-15(23-10-24-16(14)22-9-11)21-7-6-12-2-4-13(5-3-12)17(18,19)20;1-10-2-4-11(5-3-10)6-7-21-15-13-8-12(18)9-22-16(13)24-17(23-15)14(19)20;1-11-2-4-12(5-3-11)6-7-20-16-14-8-13(19)10-21-17(14)23-15(9-18)22-16;1-11-2-4-12(5-3-11)6-7-20-17-14-8-13(18)9-15(19)16(14)21-10-22-17;1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h2-7,10,16H,8-9H2,1H3,(H,22,23,24);2-7,10H,8-9,11H2,1H3,(H,21,22,23);2-5,8-10H,6-7H2,1H3,(H,21,22,23,24);2-5,8-9,14H,6-7H2,1H3,(H,21,22,23,24);2-5,8,10H,6-7,9H2,1H3,(H,20,21,22,23);2-5,8-10H,6-7H2,1H3,(H,20,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19,20,21) |
| InChIKey | INJJGZXGCLDLEA-UHFFFAOYSA-N |
| XLogP | 28.05 |
| TPSA | 316.23 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2221.79 |
| LogP ≤ 5 | 28.05 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |