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

C10H18F2N6O — CID 107485352

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H18F2N6O/c1-17(2)10-15-8(14-9(13)16-10)6-18(3-4-19)5-7(11)12/h7,19H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyAXZRZYJPOHGAPR-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.42
Rot. Bonds7

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485352) has the molecular formula C10H18F2N6O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485352
Molecular FormulaC10H18F2N6O
Molecular Weight276.29 g/mol
Exact Mass276.15
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H18F2N6O/c1-17(2)10-15-8(14-9(13)16-10)6-18(3-4-19)5-7(11)12/h7,19H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyAXZRZYJPOHGAPR-UHFFFAOYSA-N
XLogP-0.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-Piperazineethanol, 4-(4-amino-6-trifluoromethyl-2-s-triazinyl)-
CID 3041956
Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
CID 23198945
1-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 88501029
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
2-[[4-Amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495143
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495175
2-[[4-Amino-6-(diethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495317

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485352) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol is CN(C)c1nc(N)nc(CN(CCO)CC(F)F)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is AXZRZYJPOHGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N6O/c1-17(2)10-15-8(14-9(13)16-10)6-18(3-4-19)5-7(11)12/h7,19H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 276.29 g/mol, XLogP of -0.42, 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-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).