1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol

C7H11F2N5O2 — CID 57190775

IUPAC1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOC(F)CNc1ncnc(NCC(O)F)n1
InChIInChI=1S/C7H11F2N5O2/c8-4(15)1-10-6-12-3-13-7(14-6)11-2-5(9)16/h3-5,15-16H,1-2H2,(H2,10,11,12,13,14)
InChIKeyQWNYBSVOLBLCOD-UHFFFAOYSA-N
MW235.19 g/mol
LogP-0.73
Rot. Bonds6

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

1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 57190775) has the molecular formula C7H11F2N5O2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID57190775
Molecular FormulaC7H11F2N5O2
Molecular Weight235.19 g/mol
Exact Mass235.09
IUPAC Name1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOC(F)CNc1ncnc(NCC(O)F)n1
InChIInChI=1S/C7H11F2N5O2/c8-4(15)1-10-6-12-3-13-7(14-6)11-2-5(9)16/h3-5,15-16H,1-2H2,(H2,10,11,12,13,14)
InChIKeyQWNYBSVOLBLCOD-UHFFFAOYSA-N
XLogP-0.73
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

2,2',2''-(1,3,5-Triazine-2,4,6-triyltriimino)trisethanol
CID 78114
2,2'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisethanol
CID 459153
1,3,5-Triazine, 2-amino-4,6-bis(2-hydroxy)ethylamino-
CID 11171897
(2'-Hydroxyethyl)amino-1,3,5-triazine
CID 19956672
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol
CID 20337621
2-[(4-Fluoro-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 53713430
4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54279763
2-[(4-Fluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54438107
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
2-[[4,4-Difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine
CID 88517679
1-[(4-Fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 173314858
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 264888

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 57190775) is 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol is OC(F)CNc1ncnc(NCC(O)F)n1.
What is the InChIKey of 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is QWNYBSVOLBLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O2/c8-4(15)1-10-6-12-3-13-7(14-6)11-2-5(9)16/h3-5,15-16H,1-2H2,(H2,10,11,12,13,14).
What are the key properties of 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 235.19 g/mol, XLogP of -0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 57190775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).