6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

C19H19F3N6O — CID 1044899

IUPAC6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCc2ccccc2)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N6O/c1-28(2)18-26-16(23-12-13-6-4-3-5-7-13)25-17(27-18)24-14-8-10-15(11-9-14)29-19(20,21)22/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyOUHOBQPQRYPUDG-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.19
Rot. Bonds7

About 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 1044899) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID1044899
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCc2ccccc2)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H19F3N6O/c1-28(2)18-26-16(23-12-13-6-4-3-5-7-13)25-17(27-18)24-14-8-10-15(11-9-14)29-19(20,21)22/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyOUHOBQPQRYPUDG-UHFFFAOYSA-N
XLogP4.19
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 1044899) is 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NCc2ccccc2)nc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OUHOBQPQRYPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-28(2)18-26-16(23-12-13-6-4-3-5-7-13)25-17(27-18)24-14-8-10-15(11-9-14)29-19(20,21)22/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 404.40 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 1044899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).