2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

C9H14F3N5O — CID 82794549

IUPAC2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-17(2)7-14-6(13)15-8(16-7)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHXKGYXDPIQVET-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.24
Rot. Bonds5

About 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 82794549) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
PubChem CID82794549
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-17(2)7-14-6(13)15-8(16-7)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyWHXKGYXDPIQVET-UHFFFAOYSA-N
XLogP1.24
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (CID 82794549) is 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is WHXKGYXDPIQVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-17(2)7-14-6(13)15-8(16-7)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 265.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82794549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).