2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C8H12F3N5O — CID 17065388

IUPAC2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C8H12F3N5O/c1-12-5-13-6(16(2)3)15-7(14-5)17-4-8(9,10)11/h4H2,1-3H3,(H,12,13,14,15)
InChIKeyHGODDAXJZFBOAP-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.92
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 17065388) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID17065388
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C8H12F3N5O/c1-12-5-13-6(16(2)3)15-7(14-5)17-4-8(9,10)11/h4H2,1-3H3,(H,12,13,14,15)
InChIKeyHGODDAXJZFBOAP-UHFFFAOYSA-N
XLogP0.92
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 17065388) is 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(OCC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is HGODDAXJZFBOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-12-5-13-6(16(2)3)15-7(14-5)17-4-8(9,10)11/h4H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17065388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).