6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one

C12H14F3N3O — CID 78202559

IUPAC6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H14F3N3O/c1-7-5-10(19)18-11(16-7)17-9-4-2-3-8(6-9)12(13,14)15/h2-4,6-7,11,16-17H,5H2,1H3,(H,18,19)
InChIKeyAMJYNXHNSOIBRZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.90
Rot. Bonds2

About 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one

6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one (PubChem CID 78202559) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
PubChem CID78202559
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H14F3N3O/c1-7-5-10(19)18-11(16-7)17-9-4-2-3-8(6-9)12(13,14)15/h2-4,6-7,11,16-17H,5H2,1H3,(H,18,19)
InChIKeyAMJYNXHNSOIBRZ-UHFFFAOYSA-N
XLogP1.90
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 74912042
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
N-(2-methylsulfonylcyclopentyl)-3-(trifluoromethyl)aniline
CID 65046898
N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
CID 102081817
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one?
The IUPAC name of 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one (CID 78202559) is 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one.
What is the SMILES notation for 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one?
The canonical SMILES for 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one is CC1CC(=O)NC(Nc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one?
The InChIKey is AMJYNXHNSOIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7-5-10(19)18-11(16-7)17-9-4-2-3-8(6-9)12(13,14)15/h2-4,6-7,11,16-17H,5H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one?
6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one has a molecular weight of 273.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one is sourced from PubChem (CID 78202559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).