6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine

C15H18F3N5O — CID 21348569

IUPAC6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1ccccc1C(F)(F)F)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H18F3N5O/c1-3-10(22-14-21-9(2)20-13(19)23-14)8-24-12-7-5-4-6-11(12)15(16,17)18/h4-7,10H,3,8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyWLSPXQWOOBXXCL-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.05
Rot. Bonds6

About 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 21348569) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID21348569
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1ccccc1C(F)(F)F)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H18F3N5O/c1-3-10(22-14-21-9(2)20-13(19)23-14)8-24-12-7-5-4-6-11(12)15(16,17)18/h4-7,10H,3,8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyWLSPXQWOOBXXCL-UHFFFAOYSA-N
XLogP3.05
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine (CID 21348569) is 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine is CCC(COc1ccccc1C(F)(F)F)Nc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WLSPXQWOOBXXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-3-10(22-14-21-9(2)20-13(19)23-14)8-24-12-7-5-4-6-11(12)15(16,17)18/h4-7,10H,3,8H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 341.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).