2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol

C11H12N4O3 — CID 615845

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol
SMILESCOc1nc(Nc2ccccc2O)nc(OC)n1
InChIInChI=1S/C11H12N4O3/c1-17-10-13-9(14-11(15-10)18-2)12-7-5-3-4-6-8(7)16/h3-6,16H,1-2H3,(H,12,13,14,15)
InChIKeyJTGYGSCDVQXWKD-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.34
Rot. Bonds4

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

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol (PubChem CID 615845) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol
PubChem CID615845
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol
SMILESCOc1nc(Nc2ccccc2O)nc(OC)n1
InChIInChI=1S/C11H12N4O3/c1-17-10-13-9(14-11(15-10)18-2)12-7-5-3-4-6-8(7)16/h3-6,16H,1-2H3,(H,12,13,14,15)
InChIKeyJTGYGSCDVQXWKD-UHFFFAOYSA-N
XLogP1.34
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol (CID 615845) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol is COc1nc(Nc2ccccc2O)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol?
The InChIKey is JTGYGSCDVQXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-10-13-9(14-11(15-10)18-2)12-7-5-3-4-6-8(7)16/h3-6,16H,1-2H3,(H,12,13,14,15).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol has a molecular weight of 248.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenol is sourced from PubChem (CID 615845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).