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

C19H25N5O4 — CID 2243514

IUPACmethyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCN(CC)c1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O4/c1-4-23(5-2)17-20-18(24-10-12-27-13-11-24)22-19(21-17)28-15-8-6-14(7-9-15)16(25)26-3/h6-9H,4-5,10-13H2,1-3H3
InChIKeyWNHAQUGNNHOIBA-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.13
Rot. Bonds7

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

methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 2243514) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID2243514
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Namemethyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCN(CC)c1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O4/c1-4-23(5-2)17-20-18(24-10-12-27-13-11-24)22-19(21-17)28-15-8-6-14(7-9-15)16(25)26-3/h6-9H,4-5,10-13H2,1-3H3
InChIKeyWNHAQUGNNHOIBA-UHFFFAOYSA-N
XLogP2.13
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 2243514) is methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is CCN(CC)c1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is WNHAQUGNNHOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-4-23(5-2)17-20-18(24-10-12-27-13-11-24)22-19(21-17)28-15-8-6-14(7-9-15)16(25)26-3/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 387.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 2243514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).