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

C12H12F3N5O — CID 2266465

IUPAC4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F3N5O/c1-16-9-18-10(17-8-5-3-2-4-6-8)20-11(19-9)21-7-12(13,14)15/h2-6H,7H2,1H3,(H2,16,17,18,19,20)
InChIKeyWMYYICLBILQEBW-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.60
Rot. Bonds5

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

4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 2266465) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID2266465
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F3N5O/c1-16-9-18-10(17-8-5-3-2-4-6-8)20-11(19-9)21-7-12(13,14)15/h2-6H,7H2,1H3,(H2,16,17,18,19,20)
InChIKeyWMYYICLBILQEBW-UHFFFAOYSA-N
XLogP2.60
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 2266465) is 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is WMYYICLBILQEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-16-9-18-10(17-8-5-3-2-4-6-8)20-11(19-9)21-7-12(13,14)15/h2-6H,7H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2266465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).