5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine

C10H14F3N3O — CID 83266133

IUPAC5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3O/c1-7-5-16-9(4-8(7)14)15-2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H3,14,15,16)
InChIKeyXRZTXJMVXHRCHG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.96
Rot. Bonds5

About 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine

5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine (PubChem CID 83266133) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine
PubChem CID83266133
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3O/c1-7-5-16-9(4-8(7)14)15-2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H3,14,15,16)
InChIKeyXRZTXJMVXHRCHG-UHFFFAOYSA-N
XLogP1.96
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine (CID 83266133) is 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine is Cc1cnc(NCCOCC(F)(F)F)cc1N.
What is the InChIKey of 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine?
The InChIKey is XRZTXJMVXHRCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-5-16-9(4-8(7)14)15-2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H3,14,15,16).
What are the key properties of 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine?
5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine has a molecular weight of 249.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 83266133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).