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

C19H23N5O5 — CID 1293245

IUPACmethyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H23N5O5/c1-26-16(25)14-3-2-4-15(13-14)29-19-21-17(23-5-9-27-10-6-23)20-18(22-19)24-7-11-28-12-8-24/h2-4,13H,5-12H2,1H3
InChIKeyKCHLRQLIBLVFFS-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.12
Rot. Bonds5

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

methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (PubChem CID 1293245) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
PubChem CID1293245
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Namemethyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H23N5O5/c1-26-16(25)14-3-2-4-15(13-14)29-19-21-17(23-5-9-27-10-6-23)20-18(22-19)24-7-11-28-12-8-24/h2-4,13H,5-12H2,1H3
InChIKeyKCHLRQLIBLVFFS-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 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate with MolForge

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Related Compounds

4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
2-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzaldehyde
CID 1309556
Methyl 4-{[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 2243514
Methyl 4-{[4-(4-morpholinyl)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 1251575
Ethyl 4-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 1307468
Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) ester
CID 55398
Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) ester
CID 55399
Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) ester
CID 55403
Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) ester
CID 55404
Methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
CID 1002166
Methyl 4-{[4-(tert-butylamino)-6-(morpholin-4-YL)-1,3,5-triazin-2-YL]oxy}benzoate
CID 1087039
Ethyl 4-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 1087038

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The IUPAC name of methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (CID 1293245) is methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.
What is the SMILES notation for methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The canonical SMILES for methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is COC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The InChIKey is KCHLRQLIBLVFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-26-16(25)14-3-2-4-15(13-14)29-19-21-17(23-5-9-27-10-6-23)20-18(22-19)24-7-11-28-12-8-24/h2-4,13H,5-12H2,1H3.
What are the key properties of methyl 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
methyl 3-[(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 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is sourced from PubChem (CID 1293245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).