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

C12H14F3N5 — CID 2731323

IUPAC6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)
InChIKeyMMFKOLPHNNHIDJ-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.89
Rot. Bonds1

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

6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2731323) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID2731323
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)
InChIKeyMMFKOLPHNNHIDJ-UHFFFAOYSA-N
XLogP1.89
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 2731323) is 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MMFKOLPHNNHIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19).
What are the key properties of 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 285.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2731323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).