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

C12H14N4O4 — CID 121002920

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol
SMILESCOc1ccc(O)c(Nc2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C12H14N4O4/c1-18-7-4-5-9(17)8(6-7)13-10-14-11(19-2)16-12(15-10)20-3/h4-6,17H,1-3H3,(H,13,14,15,16)
InChIKeyXTAXRQZAIXTMOG-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.35
Rot. Bonds5

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

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol (PubChem CID 121002920) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol
PubChem CID121002920
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol
SMILESCOc1ccc(O)c(Nc2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C12H14N4O4/c1-18-7-4-5-9(17)8(6-7)13-10-14-11(19-2)16-12(15-10)20-3/h4-6,17H,1-3H3,(H,13,14,15,16)
InChIKeyXTAXRQZAIXTMOG-UHFFFAOYSA-N
XLogP1.35
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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]-4-methoxyphenol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol (CID 121002920) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol is COc1ccc(O)c(Nc2nc(OC)nc(OC)n2)c1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol?
The InChIKey is XTAXRQZAIXTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-18-7-4-5-9(17)8(6-7)13-10-14-11(19-2)16-12(15-10)20-3/h4-6,17H,1-3H3,(H,13,14,15,16).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol has a molecular weight of 278.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol is sourced from PubChem (CID 121002920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).