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

C18H21N5O4 — CID 1309556

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESO=Cc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O4/c24-13-14-3-1-2-4-15(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
InChIKeyITIJDINQLXPYHB-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.15
Rot. Bonds5

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

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (PubChem CID 1309556) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
PubChem CID1309556
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESO=Cc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O4/c24-13-14-3-1-2-4-15(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
InChIKeyITIJDINQLXPYHB-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-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
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
Methyl 3-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzoate
CID 1293245
3-[(4-Methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
CID 782364
4-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxybenzaldehyde
CID 1006562
Methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
CID 1017065
Ethyl 4-{[4,6-bis(morpholin-4-YL)-1,3,5-triazin-2-YL]oxy}benzoate
CID 23607174
4-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
CID 50871874
4-[[4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]benzaldehyde
CID 156597626
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]benzaldehyde
CID 3536261

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (CID 1309556) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is O=Cc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The InChIKey is ITIJDINQLXPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-13-14-3-1-2-4-15(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 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
2-[(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 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 1309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).