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

C14H17N5O2 — CID 762185

IUPAC4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCN(C)c1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)12-15-13(19(3)4)17-14(16-12)21-11-7-5-10(9-20)6-8-11/h5-9H,1-4H3
InChIKeyBFOMUVMLNOIAES-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds5

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

4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 762185) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID762185
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCN(C)c1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)12-15-13(19(3)4)17-14(16-12)21-11-7-5-10(9-20)6-8-11/h5-9H,1-4H3
InChIKeyBFOMUVMLNOIAES-UHFFFAOYSA-N
XLogP1.61
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
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-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 762185) is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde is CN(C)c1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is BFOMUVMLNOIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(2)12-15-13(19(3)4)17-14(16-12)21-11-7-5-10(9-20)6-8-11/h5-9H,1-4H3.
What are the key properties of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 287.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).