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

C15H19N5O3 — CID 742835

IUPACmethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H19N5O3/c1-19(2)13-16-14(20(3)4)18-15(17-13)23-11-8-6-10(7-9-11)12(21)22-5/h6-9H,1-5H3
InChIKeyUCYYJPNTKZNMBV-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.58
Rot. Bonds5

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

methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 742835) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID742835
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namemethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H19N5O3/c1-19(2)13-16-14(20(3)4)18-15(17-13)23-11-8-6-10(7-9-11)12(21)22-5/h6-9H,1-5H3
InChIKeyUCYYJPNTKZNMBV-UHFFFAOYSA-N
XLogP1.58
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
(2-methoxy-2-oxoethyl) 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 1001944
methyl 4-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 29128239
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide
CID 23820823
methyl 4-[[4-(butan-2-ylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 4256590
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
ethyl 4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3236720
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
CID 106999530
methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
CID 6958950
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 742835) is methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1.
What is the InChIKey of methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is UCYYJPNTKZNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19(2)13-16-14(20(3)4)18-15(17-13)23-11-8-6-10(7-9-11)12(21)22-5/h6-9H,1-5H3.
What are the key properties of methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 317.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 742835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).