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

C5H6F2N4O — CID 54479155

IUPAC2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(F)nc(F)n1
InChIInChI=1S/C5H6F2N4O/c6-3-9-4(7)11-5(10-3)8-1-2-12/h12H,1-2H2,(H,8,9,10,11)
InChIKeyXNTJIKCIUKRRFA-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.45
Rot. Bonds3

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

2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 54479155) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID54479155
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(F)nc(F)n1
InChIInChI=1S/C5H6F2N4O/c6-3-9-4(7)11-5(10-3)8-1-2-12/h12H,1-2H2,(H,8,9,10,11)
InChIKeyXNTJIKCIUKRRFA-UHFFFAOYSA-N
XLogP-0.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
CID 70987557
2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 24860458
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-[4-(2-hydroxyethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]propan-2-ol
CID 110178189
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23872852
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19611874
2-[(4-butyl-6-methyl-1,3,5-triazin-2-yl)amino]ethanol
CID 58502729

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol (CID 54479155) is 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol is OCCNc1nc(F)nc(F)n1.
What is the InChIKey of 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is XNTJIKCIUKRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-3-9-4(7)11-5(10-3)8-1-2-12/h12H,1-2H2,(H,8,9,10,11).
What are the key properties of 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 176.13 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 54479155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).