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

C14H17N5O2 — CID 762184

IUPAC4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCCNc1nc(NCC)nc(Oc2ccc(C=O)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-3-15-12-17-13(16-4-2)19-14(18-12)21-11-7-5-10(9-20)6-8-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHIMYISRXMGTFLW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.34
Rot. Bonds7

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

4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 762184) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID762184
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCCNc1nc(NCC)nc(Oc2ccc(C=O)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-3-15-12-17-13(16-4-2)19-14(18-12)21-11-7-5-10(9-20)6-8-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHIMYISRXMGTFLW-UHFFFAOYSA-N
XLogP2.34
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 646307
Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742830
Methyl 4-{[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 969719
Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 742833
Methyl 4-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 805286
Ethyl 4-{[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 646098
4-(4-Dimethylamino-6-isopropylamino-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 647596
Ethyl 4-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
CID 654452
Ethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 697670
Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 713447
Methyl 4-{[4-(methylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 750970
Methyl 4-{[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 752334

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 762184) is 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde is CCNc1nc(NCC)nc(Oc2ccc(C=O)cc2)n1.
What is the InChIKey of 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is HIMYISRXMGTFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-15-12-17-13(16-4-2)19-14(18-12)21-11-7-5-10(9-20)6-8-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 287.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 762184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).