6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H13F3N4 — CID 102717234

IUPAC6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCc2ccccn2)n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)9-7-11(17)20-12(8-9)19-6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2,(H3,17,19,20)
InChIKeyQKOMPMCPBCFLDE-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.73
Rot. Bonds4

About 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717234) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717234
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCc2ccccn2)n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)9-7-11(17)20-12(8-9)19-6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2,(H3,17,19,20)
InChIKeyQKOMPMCPBCFLDE-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804
4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80932444
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 87589099

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717234) is 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NCCc2ccccn2)n1.
What is the InChIKey of 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QKOMPMCPBCFLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)9-7-11(17)20-12(8-9)19-6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2,(H3,17,19,20).
What are the key properties of 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 282.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).