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

C15H19N5O3 — CID 752334

IUPACmethyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19N5O3/c1-5-16-13-17-14(20(2)3)19-15(18-13)23-11-8-6-10(7-9-11)12(21)22-4/h6-9H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyQFXDMBNBBATTKK-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.95
Rot. Bonds6

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

methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 752334) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID752334
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namemethyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19N5O3/c1-5-16-13-17-14(20(2)3)19-15(18-13)23-11-8-6-10(7-9-11)12(21)22-4/h6-9H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyQFXDMBNBBATTKK-UHFFFAOYSA-N
XLogP1.95
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 752334) is methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is QFXDMBNBBATTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-5-16-13-17-14(20(2)3)19-15(18-13)23-11-8-6-10(7-9-11)12(21)22-4/h6-9H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 317.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 752334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).