2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C11H13F6N3 — CID 102717325

IUPAC2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(F)(F)F)n1
InChIInChI=1S/C11H13F6N3/c1-2-3-18-8-4-7(11(15,16)17)5-9(20-8)19-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H2,18,19,20)
InChIKeyVYRBWPXCZJMEJG-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.90
Rot. Bonds5

About 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717325) has the molecular formula C11H13F6N3 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717325
Molecular FormulaC11H13F6N3
Molecular Weight301.23 g/mol
Exact Mass301.10
IUPAC Name2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCC(F)(F)F)n1
InChIInChI=1S/C11H13F6N3/c1-2-3-18-8-4-7(11(15,16)17)5-9(20-8)19-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H2,18,19,20)
InChIKeyVYRBWPXCZJMEJG-UHFFFAOYSA-N
XLogP3.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718545
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717325) is 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1cc(C(F)(F)F)cc(NCC(F)(F)F)n1.
What is the InChIKey of 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is VYRBWPXCZJMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3/c1-2-3-18-8-4-7(11(15,16)17)5-9(20-8)19-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H2,18,19,20).
What are the key properties of 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).