6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
C134H123F12N45OS — CID 158415274
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccncc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(NC(C)c4ccc(F)cc4F)nc(C4CC4)n3)n[nH]2)c1
InChIInChI=1S/C24H23F2N7O.C23H21F2N7.3C22H20F2N8.C21H19F2N7S/c1-13(18-9-8-16(25)11-19(18)26)27-23-29-22(14-6-7-14)30-24(31-23)28-21-12-20(32-33-21)15-4-3-5-17(10-15)34-2;1-13(17-10-9-16(24)11-18(17)25)26-22-28-21(15-7-8-15)29-23(30-22)27-20-12-19(31-32-20)14-5-3-2-4-6-14;1-12(16-5-4-15(23)10-17(16)24)26-21-28-20(14-2-3-14)29-22(30-21)27-19-11-18(31-32-19)13-6-8-25-9-7-13;1-12(16-7-6-15(23)9-17(16)24)26-21-28-20(13-4-5-13)29-22(30-21)27-19-10-18(31-32-19)14-3-2-8-25-11-14;1-12(15-8-7-14(23)10-16(15)24)26-21-28-20(13-5-6-13)29-22(30-21)27-19-11-18(31-32-19)17-4-2-3-9-25-17;1-11(14-7-6-13(22)9-15(14)23)24-20-26-19(12-4-5-12)27-21(28-20)25-18-10-16(29-30-18)17-3-2-8-31-17/h3-5,8-14H,6-7H2,1-2H3,(H3,27,28,29,30,31,32,33);2-6,9-13,15H,7-8H2,1H3,(H3,26,27,28,29,30,31,32);4-12,14H,2-3H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-13H,4-5H2,1H3,(H3,26,27,28,29,30,31,32);2-4,7-13H,5-6H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-12H,4-5H2,1H3,(H3,24,25,26,27,28,29,30)
InChIKeyGZUWXHKDCVZHSW-UHFFFAOYSA-N
MW2639.81 g/mol
LogP30.26
Rot. Bonds43
About 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 158415274) has the molecular formula C134H123F12N45OS and a molecular weight of 2639.81 g/mol. Its IUPAC name is 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
Molecular Properties
| Compound Name | 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine |
|---|---|
| PubChem CID | 158415274 |
| Molecular Formula | C134H123F12N45OS |
| Molecular Weight | 2639.81 g/mol |
| Exact Mass | 2638.05 |
| IUPAC Name | 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine |
| SMILES | CC(Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccncc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(NC(C)c4ccc(F)cc4F)nc(C4CC4)n3)n[nH]2)c1 |
| InChI | InChI=1S/C24H23F2N7O.C23H21F2N7.3C22H20F2N8.C21H19F2N7S/c1-13(18-9-8-16(25)11-19(18)26)27-23-29-22(14-6-7-14)30-24(31-23)28-21-12-20(32-33-21)15-4-3-5-17(10-15)34-2;1-13(17-10-9-16(24)11-18(17)25)26-22-28-21(15-7-8-15)29-23(30-22)27-20-12-19(31-32-20)14-5-3-2-4-6-14;1-12(16-5-4-15(23)10-17(16)24)26-21-28-20(14-2-3-14)29-22(30-21)27-19-11-18(31-32-19)13-6-8-25-9-7-13;1-12(16-7-6-15(23)9-17(16)24)26-21-28-20(13-4-5-13)29-22(30-21)27-19-10-18(31-32-19)14-3-2-8-25-11-14;1-12(15-8-7-14(23)10-16(15)24)26-21-28-20(13-5-6-13)29-22(30-21)27-19-11-18(31-32-19)17-4-2-3-9-25-17;1-11(14-7-6-13(22)9-15(14)23)24-20-26-19(12-4-5-12)27-21(28-20)25-18-10-16(29-30-18)17-3-2-8-31-17/h3-5,8-14H,6-7H2,1-2H3,(H3,27,28,29,30,31,32,33);2-6,9-13,15H,7-8H2,1H3,(H3,26,27,28,29,30,31,32);4-12,14H,2-3H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-13H,4-5H2,1H3,(H3,26,27,28,29,30,31,32);2-4,7-13H,5-6H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-12H,4-5H2,1H3,(H3,24,25,26,27,28,29,30) |
| InChIKey | GZUWXHKDCVZHSW-UHFFFAOYSA-N |
| XLogP | 30.26 |
| TPSA | 596.36 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 193 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2639.81 |
| LogP ≤ 5 | 30.26 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 158415274) is 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccccn3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.CC(Nc1nc(Nc2cc(-c3ccncc3)[nH]n2)nc(C2CC2)n1)c1ccc(F)cc1F.COc1cccc(-c2cc(Nc3nc(NC(C)c4ccc(F)cc4F)nc(C4CC4)n3)n[nH]2)c1.
What is the InChIKey of 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GZUWXHKDCVZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O.C23H21F2N7.3C22H20F2N8.C21H19F2N7S/c1-13(18-9-8-16(25)11-19(18)26)27-23-29-22(14-6-7-14)30-24(31-23)28-21-12-20(32-33-21)15-4-3-5-17(10-15)34-2;1-13(17-10-9-16(24)11-18(17)25)26-22-28-21(15-7-8-15)29-23(30-22)27-20-12-19(31-32-20)14-5-3-2-4-6-14;1-12(16-5-4-15(23)10-17(16)24)26-21-28-20(14-2-3-14)29-22(30-21)27-19-11-18(31-32-19)13-6-8-25-9-7-13;1-12(16-7-6-15(23)9-17(16)24)26-21-28-20(13-4-5-13)29-22(30-21)27-19-10-18(31-32-19)14-3-2-8-25-11-14;1-12(15-8-7-14(23)10-16(15)24)26-21-28-20(13-5-6-13)29-22(30-21)27-19-11-18(31-32-19)17-4-2-3-9-25-17;1-11(14-7-6-13(22)9-15(14)23)24-20-26-19(12-4-5-12)27-21(28-20)25-18-10-16(29-30-18)17-3-2-8-31-17/h3-5,8-14H,6-7H2,1-2H3,(H3,27,28,29,30,31,32,33);2-6,9-13,15H,7-8H2,1H3,(H3,26,27,28,29,30,31,32);4-12,14H,2-3H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-13H,4-5H2,1H3,(H3,26,27,28,29,30,31,32);2-4,7-13H,5-6H2,1H3,(H3,26,27,28,29,30,31,32);2-3,6-12H,4-5H2,1H3,(H3,24,25,26,27,28,29,30).
What are the key properties of 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2639.81 g/mol, XLogP of 30.26, 43 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158415274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158415274 — identifiers, structure, computed properties (public domain)
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