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

C14H16N4O4 — CID 805286

IUPACmethyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(OC)nc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C14H16N4O4/c1-4-15-12-16-13(21-3)18-14(17-12)22-10-7-5-9(6-8-10)11(19)20-2/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyVLRJVEPGARJTDZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.89
Rot. Bonds6

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

methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 805286) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID805286
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Namemethyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(OC)nc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C14H16N4O4/c1-4-15-12-16-13(21-3)18-14(17-12)22-10-7-5-9(6-8-10)11(19)20-2/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyVLRJVEPGARJTDZ-UHFFFAOYSA-N
XLogP1.89
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (CID 805286) is methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(OC)nc(Oc2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is VLRJVEPGARJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-15-12-16-13(21-3)18-14(17-12)22-10-7-5-9(6-8-10)11(19)20-2/h5-8H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 304.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 805286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).