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

C10H17F3N6O — CID 103857860

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-18(2)9-16-7(15-8(14)17-9)5-19(3-4-20)6-10(11,12)13/h20H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyJUMMFLPPBMBCQG-UHFFFAOYSA-N
MW294.28 g/mol
LogP-0.12
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857860) has the molecular formula C10H17F3N6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857860
Molecular FormulaC10H17F3N6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-18(2)9-16-7(15-8(14)17-9)5-19(3-4-20)6-10(11,12)13/h20H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyJUMMFLPPBMBCQG-UHFFFAOYSA-N
XLogP-0.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857860) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CN(C)c1nc(N)nc(CN(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JUMMFLPPBMBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O/c1-18(2)9-16-7(15-8(14)17-9)5-19(3-4-20)6-10(11,12)13/h20H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 294.28 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).