2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C11H10F3N5O — CID 944865

IUPAC2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-20-7-5-3-2-4-6(7)16-10-18-8(11(12,13)14)17-9(15)19-10/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyIGGCLYQOFBQXDP-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.22
Rot. Bonds3

About 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 944865) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID944865
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-20-7-5-3-2-4-6(7)16-10-18-8(11(12,13)14)17-9(15)19-10/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyIGGCLYQOFBQXDP-UHFFFAOYSA-N
XLogP2.22
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 715055
6-(Chloromethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-(chloromethyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 937086
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
N-tert-butyl-6-chloro-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 744431
N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2950845
6-(4-Methoxy-phenoxymethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
CID 937121
6-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 941892
2-{[4-(Butylamino)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648013
2-{[4-(3,3-Difluoropyrrolidin-1-yl)-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 23648015

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 944865) is 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IGGCLYQOFBQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-20-7-5-3-2-4-6(7)16-10-18-8(11(12,13)14)17-9(15)19-10/h2-5H,1H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 944865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).