2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine

C10H18F2N8O2 — CID 88517679

IUPAC2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine
SMILESOCCNC1(NCCO)NC=NC(F)(F)N1.c1ncncn1
InChIInChI=1S/C7H15F2N5O2.C3H3N3/c8-6(9)12-5-13-7(14-6,10-1-3-15)11-2-4-16;1-4-2-6-3-5-1/h5,10-11,14-16H,1-4H2,(H,12,13);1-3H
InChIKeyCLKNTDCPDMGGFX-UHFFFAOYSA-N
MW320.30 g/mol
LogP-2.60
Rot. Bonds6

About 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine

2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine (PubChem CID 88517679) has the molecular formula C10H18F2N8O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine.

Molecular Properties

Compound Name2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine
PubChem CID88517679
Molecular FormulaC10H18F2N8O2
Molecular Weight320.30 g/mol
Exact Mass320.15
IUPAC Name2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine
SMILESOCCNC1(NCCO)NC=NC(F)(F)N1.c1ncncn1
InChIInChI=1S/C7H15F2N5O2.C3H3N3/c8-6(9)12-5-13-7(14-6,10-1-3-15)11-2-4-16;1-4-2-6-3-5-1/h5,10-11,14-16H,1-4H2,(H,12,13);1-3H
InChIKeyCLKNTDCPDMGGFX-UHFFFAOYSA-N
XLogP-2.60
TPSA139.61 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.30
LogP ≤ 5-2.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine?
The IUPAC name of 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine (CID 88517679) is 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine.
What is the SMILES notation for 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine?
The canonical SMILES for 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine is OCCNC1(NCCO)NC=NC(F)(F)N1.c1ncncn1.
What is the InChIKey of 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine?
The InChIKey is CLKNTDCPDMGGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N5O2.C3H3N3/c8-6(9)12-5-13-7(14-6,10-1-3-15)11-2-4-16;1-4-2-6-3-5-1/h5,10-11,14-16H,1-4H2,(H,12,13);1-3H.
What are the key properties of 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine?
2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine has a molecular weight of 320.30 g/mol, XLogP of -2.60, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,4-difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine is sourced from PubChem (CID 88517679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).