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

C13H18F3N3O — CID 102719095

IUPAC6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC1(C)CC(Nc2cc(C(F)(F)F)cc(N)n2)CCO1
InChIInChI=1S/C13H18F3N3O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(14,15)16)5-10(17)19-11/h5-6,9H,3-4,7H2,1-2H3,(H3,17,18,19)
InChIKeyFETDUBWAJGHMGK-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.05
Rot. Bonds2

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

6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719095) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719095
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC1(C)CC(Nc2cc(C(F)(F)F)cc(N)n2)CCO1
InChIInChI=1S/C13H18F3N3O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(14,15)16)5-10(17)19-11/h5-6,9H,3-4,7H2,1-2H3,(H3,17,18,19)
InChIKeyFETDUBWAJGHMGK-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
1-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 83026930
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
CID 114072659

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719095) is 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CC1(C)CC(Nc2cc(C(F)(F)F)cc(N)n2)CCO1.
What is the InChIKey of 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is FETDUBWAJGHMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-12(2)7-9(3-4-20-12)18-11-6-8(13(14,15)16)5-10(17)19-11/h5-6,9H,3-4,7H2,1-2H3,(H3,17,18,19).
What are the key properties of 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 289.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).