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

C13H18F3N3O — CID 102717637

IUPAC2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-3-5-20-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyHKEXEVAVGWRCBB-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.76
Rot. Bonds3

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

2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717637) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717637
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-3-5-20-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyHKEXEVAVGWRCBB-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717416
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717599
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718099
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718063
2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719330
2-N-methyl-6-N-morpholin-4-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719094
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718253

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717637) is 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is HKEXEVAVGWRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-3-5-20-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 289.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).