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

C13H14N4O3 — CID 892843

IUPAC4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCOc1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H14N4O3/c1-17(2)11-14-12(19-3)16-13(15-11)20-10-6-4-9(8-18)5-7-10/h4-8H,1-3H3
InChIKeyPJSIZGZDHKTMJK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.55
Rot. Bonds5

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

4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 892843) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID892843
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCOc1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H14N4O3/c1-17(2)11-14-12(19-3)16-13(15-11)20-10-6-4-9(8-18)5-7-10/h4-8H,1-3H3
InChIKeyPJSIZGZDHKTMJK-UHFFFAOYSA-N
XLogP1.55
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 892843) is 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde is COc1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is PJSIZGZDHKTMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17(2)11-14-12(19-3)16-13(15-11)20-10-6-4-9(8-18)5-7-10/h4-8H,1-3H3.
What are the key properties of 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 274.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 892843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).