methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate

C13H15N5O3 — CID 6492124

IUPACmethyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H15N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-9-6-4-8(5-7-9)10(19)20-3/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyHDLIFQMYUSWJIN-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.10
Rot. Bonds4

About methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate

methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 6492124) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID6492124
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Namemethyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H15N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-9-6-4-8(5-7-9)10(19)20-3/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyHDLIFQMYUSWJIN-UHFFFAOYSA-N
XLogP1.10
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 6492124) is methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is HDLIFQMYUSWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-18(2)12-15-11(14)16-13(17-12)21-9-6-4-8(5-7-9)10(19)20-3/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 289.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 6492124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).