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

C12H14N4O3 — CID 618723

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol
SMILESCOc1nc(Nc2cc(C)ccc2O)nc(OC)n1
InChIInChI=1S/C12H14N4O3/c1-7-4-5-9(17)8(6-7)13-10-14-11(18-2)16-12(15-10)19-3/h4-6,17H,1-3H3,(H,13,14,15,16)
InChIKeyCCPVDHDYLHMRLV-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.65
Rot. Bonds4

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

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol (PubChem CID 618723) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol
PubChem CID618723
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol
SMILESCOc1nc(Nc2cc(C)ccc2O)nc(OC)n1
InChIInChI=1S/C12H14N4O3/c1-7-4-5-9(17)8(6-7)13-10-14-11(18-2)16-12(15-10)19-3/h4-6,17H,1-3H3,(H,13,14,15,16)
InChIKeyCCPVDHDYLHMRLV-UHFFFAOYSA-N
XLogP1.65
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.65
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]-4-methylphenol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol (CID 618723) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol is COc1nc(Nc2cc(C)ccc2O)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol?
The InChIKey is CCPVDHDYLHMRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-5-9(17)8(6-7)13-10-14-11(18-2)16-12(15-10)19-3/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-methylphenol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol has a molecular weight of 262.27 g/mol, XLogP of 1.65, 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]-4-methylphenol is sourced from PubChem (CID 618723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).