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

C23H27FN4O4 — CID 71599709

IUPAC2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1
InChIInChI=1S/C23H27FN4O4/c1-23(2,29)18-13-16(7-10-19(18)30-3)20-26-21(28-22(27-20)31-4)25-12-11-15-5-8-17(9-6-15)32-14-24/h5-10,13,29H,11-12,14H2,1-4H3,(H,25,26,27,28)
InChIKeyYUCMYVVENLRMJC-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.74
Rot. Bonds10

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

2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol (PubChem CID 71599709) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
PubChem CID71599709
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1
InChIInChI=1S/C23H27FN4O4/c1-23(2,29)18-13-16(7-10-19(18)30-3)20-26-21(28-22(27-20)31-4)25-12-11-15-5-8-17(9-6-15)32-14-24/h5-10,13,29H,11-12,14H2,1-4H3,(H,25,26,27,28)
InChIKeyYUCMYVVENLRMJC-UHFFFAOYSA-N
XLogP3.74
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?
The IUPAC name of 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol (CID 71599709) is 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol is COc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(OC)c(C(C)(C)O)c2)n1.
What is the InChIKey of 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?
The InChIKey is YUCMYVVENLRMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-23(2,29)18-13-16(7-10-19(18)30-3)20-26-21(28-22(27-20)31-4)25-12-11-15-5-8-17(9-6-15)32-14-24/h5-10,13,29H,11-12,14H2,1-4H3,(H,25,26,27,28).
What are the key properties of 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?
2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol has a molecular weight of 442.49 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 71599709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).