2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C11H19F3N6O — CID 107495317

IUPAC2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCN(CC)c1nc(N)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20(5-6-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyHSOSPWYMOBPNHN-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.66
Rot. Bonds7

About 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495317) has the molecular formula C11H19F3N6O and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495317
Molecular FormulaC11H19F3N6O
Molecular Weight308.31 g/mol
Exact Mass308.16
IUPAC Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCN(CC)c1nc(N)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20(5-6-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyHSOSPWYMOBPNHN-UHFFFAOYSA-N
XLogP0.66
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495317) is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCN(CC)c1nc(N)nc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is HSOSPWYMOBPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20(5-6-21)7-11(12,13)14/h21H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 308.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).