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

C11H10F3N5 — CID 6461045

IUPAC2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N5/c1-6-3-2-4-7(5-6)16-10-18-8(11(12,13)14)17-9(15)19-10/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyPSJUFGUZVGGWMJ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.52
Rot. Bonds2

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

2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 6461045) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID6461045
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N5/c1-6-3-2-4-7(5-6)16-10-18-8(11(12,13)14)17-9(15)19-10/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyPSJUFGUZVGGWMJ-UHFFFAOYSA-N
XLogP2.52
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 933293
6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 935910
2-N-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine
CID 704906
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
Stk064997
CID 778562
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 936364
6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 690744
4-(3,5-Difluoroanilino)-6-(2,2-difluoroethylamino)-1,3,5-triazine-2-carbonitrile
CID 44142116
(4,6-Dimethylpyrimidin-2-yl)[3-(trifluoromethyl)phenyl]amine, chloride
CID 2969508
6-(chloromethyl)-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 936997
6-methyl-N~4~-[3-(trifluoromethyl)phenyl]-2,4-pyrimidinediamine
CID 2766306

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 6461045) is 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PSJUFGUZVGGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c1-6-3-2-4-7(5-6)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-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6461045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).