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

C14H16N4O4 — CID 694915

IUPACmethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H16N4O4/c1-18(2)12-15-13(21-4)17-14(16-12)22-10-7-5-9(6-8-10)11(19)20-3/h5-8H,1-4H3
InChIKeyTWIFVMRASPIJTL-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.53
Rot. Bonds5

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

methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 694915) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID694915
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Namemethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H16N4O4/c1-18(2)12-15-13(21-4)17-14(16-12)22-10-7-5-9(6-8-10)11(19)20-3/h5-8H,1-4H3
InChIKeyTWIFVMRASPIJTL-UHFFFAOYSA-N
XLogP1.53
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (CID 694915) is methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is TWIFVMRASPIJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-18(2)12-15-13(21-4)17-14(16-12)22-10-7-5-9(6-8-10)11(19)20-3/h5-8H,1-4H3.
What are the key properties of methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 304.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 694915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).