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

C19H23N5O5 — CID 1017065

IUPACmethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H23N5O5/c1-26-16(25)14-2-4-15(5-3-14)29-19-21-17(23-6-10-27-11-7-23)20-18(22-19)24-8-12-28-13-9-24/h2-5H,6-13H2,1H3
InChIKeySVMHOKDNKYTDRZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.12
Rot. Bonds5

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

methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (PubChem CID 1017065) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
PubChem CID1017065
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Namemethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H23N5O5/c1-26-16(25)14-2-4-15(5-3-14)29-19-21-17(23-6-10-27-11-7-23)20-18(22-19)24-8-12-28-13-9-24/h2-5H,6-13H2,1H3
InChIKeySVMHOKDNKYTDRZ-UHFFFAOYSA-N
XLogP1.12
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The IUPAC name of methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (CID 1017065) is methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The canonical SMILES for methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is COC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The InChIKey is SVMHOKDNKYTDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-26-16(25)14-2-4-15(5-3-14)29-19-21-17(23-6-10-27-11-7-23)20-18(22-19)24-8-12-28-13-9-24/h2-5H,6-13H2,1H3.
What are the key properties of methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate has a molecular weight of 401.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is sourced from PubChem (CID 1017065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).