2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol

C23H25F3N4O4 — CID 71599447

IUPAC2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1
InChIInChI=1S/C23H25F3N4O4/c1-22(2,31)17-13-15(7-10-18(17)32-3)19-28-20(30-21(29-19)33-4)27-12-11-14-5-8-16(9-6-14)34-23(24,25)26/h5-10,13,31H,11-12H2,1-4H3,(H,27,28,29,30)
InChIKeyUVMYUQCRHXVGBG-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.34
Rot. Bonds9

About 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol

2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol (PubChem CID 71599447) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
PubChem CID71599447
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1
InChIInChI=1S/C23H25F3N4O4/c1-22(2,31)17-13-15(7-10-18(17)32-3)19-28-20(30-21(29-19)33-4)27-12-11-14-5-8-16(9-6-14)34-23(24,25)26/h5-10,13,31H,11-12H2,1-4H3,(H,27,28,29,30)
InChIKeyUVMYUQCRHXVGBG-UHFFFAOYSA-N
XLogP4.34
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol (CID 71599447) is 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol is COc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1.
What is the InChIKey of 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The InChIKey is UVMYUQCRHXVGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-22(2,31)17-13-15(7-10-18(17)32-3)19-28-20(30-21(29-19)33-4)27-12-11-14-5-8-16(9-6-14)34-23(24,25)26/h5-10,13,31H,11-12H2,1-4H3,(H,27,28,29,30).
What are the key properties of 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol has a molecular weight of 478.47 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 71599447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).