2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol

C9H8FN5O — CID 135566557

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
SMILESNc1nc(N)nc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C9H8FN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)
InChIKeyLESNOWHOOHPPHR-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.55
Rot. Bonds1

About 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol

2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol (PubChem CID 135566557) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
PubChem CID135566557
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
SMILESNc1nc(N)nc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C9H8FN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)
InChIKeyLESNOWHOOHPPHR-UHFFFAOYSA-N
XLogP0.55
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol (CID 135566557) is 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol is Nc1nc(N)nc(-c2cc(F)ccc2O)n1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol?
The InChIKey is LESNOWHOOHPPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol?
2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol has a molecular weight of 221.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol is sourced from PubChem (CID 135566557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).