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

C9H15F3N6O — CID 107495340

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O/c1-17(2)7-14-6(13)15-8(16-7)18(3-4-19)5-9(10,11)12/h19H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyYGKXCJNADOSWEJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.12
Rot. Bonds5

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495340) has the molecular formula C9H15F3N6O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495340
Molecular FormulaC9H15F3N6O
Molecular Weight280.25 g/mol
Exact Mass280.13
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O/c1-17(2)7-14-6(13)15-8(16-7)18(3-4-19)5-9(10,11)12/h19H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyYGKXCJNADOSWEJ-UHFFFAOYSA-N
XLogP-0.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

Cambridge id 5108292
CID 793109
Ethanol, 2-((4,6-bis(dimethylamino)-s-triazin-2-yl)methylamino)-
CID 104144
Ethanol, 2,2'-((4,6-bis(dimethylamino)-s-triazin-2-yl)imino)di-
CID 3048926
[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
2-[(4,6-Diamino-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 245518
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
1,3,5-Triazine, 2-amino-4,6-bisdi(2-hydroxy)ethylamino-
CID 66883641
[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 20537877
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 53804345
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495340) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CN(C)c1nc(N)nc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YGKXCJNADOSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N6O/c1-17(2)7-14-6(13)15-8(16-7)18(3-4-19)5-9(10,11)12/h19H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 280.25 g/mol, XLogP of -0.12, 5 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]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).