6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C11H16F3N3O — CID 102719521

IUPAC6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCC(C)OC)n1
InChIInChI=1S/C11H16F3N3O/c1-7(18-3)6-16-10-5-8(11(12,13)14)4-9(15-2)17-10/h4-5,7H,6H2,1-3H3,(H2,15,16,17)
InChIKeyXZFXBYMHSVGHLV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.59
Rot. Bonds5

About 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719521) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719521
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCC(C)OC)n1
InChIInChI=1S/C11H16F3N3O/c1-7(18-3)6-16-10-5-8(11(12,13)14)4-9(15-2)17-10/h4-5,7H,6H2,1-3H3,(H2,15,16,17)
InChIKeyXZFXBYMHSVGHLV-UHFFFAOYSA-N
XLogP2.59
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
6-(1-methoxypropan-2-yloxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719982
4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773034
N-(2,3-dimethoxypropyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 114102576
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 102719042
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
2-N-methyl-6-N-(thian-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719318
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719521) is 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NCC(C)OC)n1.
What is the InChIKey of 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is XZFXBYMHSVGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(18-3)6-16-10-5-8(11(12,13)14)4-9(15-2)17-10/h4-5,7H,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).