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

C12H12F3N5O — CID 80874520

IUPAC2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N5O/c1-20(2)10-17-9(16)18-11(19-10)21-8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyWFDFINXCGHEJLQ-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.33
Rot. Bonds3

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

2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine (PubChem CID 80874520) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
PubChem CID80874520
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N5O/c1-20(2)10-17-9(16)18-11(19-10)21-8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyWFDFINXCGHEJLQ-UHFFFAOYSA-N
XLogP2.33
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80881203
2-N,2-N-dimethyl-6-(3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80870950
6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80867209
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine (CID 80874520) is 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is WFDFINXCGHEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-20(2)10-17-9(16)18-11(19-10)21-8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80874520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).