4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine

C23H24F3N7O2 — CID 34360960

IUPAC4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nc(N4CCCC4)nc(N4CCOCC4)n3)o2)c1
InChIInChI=1S/C23H24F3N7O2/c24-23(25,26)17-5-3-4-16(14-17)19-7-6-18(35-19)15-27-31-20-28-21(32-8-1-2-9-32)30-22(29-20)33-10-12-34-13-11-33/h3-7,14-15H,1-2,8-13H2,(H,28,29,30,31)/b27-15+
InChIKeyUVVPHBMWUUMAIE-JFLMPSFJSA-N
MW487.49 g/mol
LogP4.03
Rot. Bonds6

About 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine

4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 34360960) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
PubChem CID34360960
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nc(N4CCCC4)nc(N4CCOCC4)n3)o2)c1
InChIInChI=1S/C23H24F3N7O2/c24-23(25,26)17-5-3-4-16(14-17)19-7-6-18(35-19)15-27-31-20-28-21(32-8-1-2-9-32)30-22(29-20)33-10-12-34-13-11-33/h3-7,14-15H,1-2,8-13H2,(H,28,29,30,31)/b27-15+
InChIKeyUVVPHBMWUUMAIE-JFLMPSFJSA-N
XLogP4.03
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine (CID 34360960) is 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine is FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nc(N4CCCC4)nc(N4CCOCC4)n3)o2)c1.
What is the InChIKey of 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is UVVPHBMWUUMAIE-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c24-23(25,26)17-5-3-4-16(14-17)19-7-6-18(35-19)15-27-31-20-28-21(32-8-1-2-9-32)30-22(29-20)33-10-12-34-13-11-33/h3-7,14-15H,1-2,8-13H2,(H,28,29,30,31)/b27-15+.
What are the key properties of 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 487.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-pyrrolidin-1-yl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 34360960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).