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

C18H21N5O4 — CID 50871874

IUPAC4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21N5O4/c24-13-14-1-3-15(4-2-14)27-18-20-16(22-5-9-25-10-6-22)19-17(21-18)23-7-11-26-12-8-23/h1-4,13H,5-12H2
InChIKeyCFVPQTCADJCSOY-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.15
Rot. Bonds5

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

4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (PubChem CID 50871874) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
PubChem CID50871874
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21N5O4/c24-13-14-1-3-15(4-2-14)27-18-20-16(22-5-9-25-10-6-22)19-17(21-18)23-7-11-26-12-8-23/h1-4,13H,5-12H2
InChIKeyCFVPQTCADJCSOY-UHFFFAOYSA-N
XLogP1.15
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 1086559
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
2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium
CID 91885433
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The IUPAC name of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (CID 50871874) is 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The canonical SMILES for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is O=Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The InChIKey is CFVPQTCADJCSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-13-14-1-3-15(4-2-14)27-18-20-16(22-5-9-25-10-6-22)19-17(21-18)23-7-11-26-12-8-23/h1-4,13H,5-12H2.
What are the key properties of 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde has a molecular weight of 371.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 50871874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).