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

C13H15N5O3 — CID 969719

IUPACmethyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-15-12-16-11(14)17-13(18-12)21-9-6-4-8(5-7-9)10(19)20-2/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyFOJOZPFVJOWUSR-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.46
Rot. Bonds5

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

methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 969719) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID969719
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Namemethyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-15-12-16-11(14)17-13(18-12)21-9-6-4-8(5-7-9)10(19)20-2/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyFOJOZPFVJOWUSR-UHFFFAOYSA-N
XLogP1.46
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 969719) is methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is FOJOZPFVJOWUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-15-12-16-11(14)17-13(18-12)21-9-6-4-8(5-7-9)10(19)20-2/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 289.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 969719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).