4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C10H15F3N4O — CID 103151158

IUPAC4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-6(2)8-15-7(16-9(14)17-8)3-4-18-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyHRDHVTAHRIPEMJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.70
Rot. Bonds5

About 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151158) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151158
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-6(2)8-15-7(16-9(14)17-8)3-4-18-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyHRDHVTAHRIPEMJ-UHFFFAOYSA-N
XLogP1.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151158) is 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is HRDHVTAHRIPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)8-15-7(16-9(14)17-8)3-4-18-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 264.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).