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

C22H23F3N4O3 — CID 118986974

IUPAC2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(F)c(C(C)(C)O)c2)n1
InChIInChI=1S/C22H23F3N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29)
InChIKeyUYHHDBZDDYXFPH-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.17
Rot. Bonds9

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

2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol (PubChem CID 118986974) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
PubChem CID118986974
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(F)c(C(C)(C)O)c2)n1
InChIInChI=1S/C22H23F3N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29)
InChIKeyUYHHDBZDDYXFPH-UHFFFAOYSA-N
XLogP4.17
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol (CID 118986974) is 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol is COc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(F)c(C(C)(C)O)c2)n1.
What is the InChIKey of 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol?
The InChIKey is UYHHDBZDDYXFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29).
What are the key properties of 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol?
2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol has a molecular weight of 448.45 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol is sourced from PubChem (CID 118986974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).