6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine

C9H12F3N3 — CID 102717244

IUPAC6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C9H12F3N3/c1-5(2)14-8-4-6(9(10,11)12)3-7(13)15-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyJQZVVURERKGAGL-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.50
Rot. Bonds2

About 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717244) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717244
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C9H12F3N3/c1-5(2)14-8-4-6(9(10,11)12)3-7(13)15-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyJQZVVURERKGAGL-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718593
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
6-N-(2-methylcycloheptyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718779
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825

Frequently Asked Questions

What is the IUPAC name of 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717244) is 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine is CC(C)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is JQZVVURERKGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5(2)14-8-4-6(9(10,11)12)3-7(13)15-8/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 219.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).