4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde

C18H17N5O2 — CID 57003162

IUPAC4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1Oc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-11-8-13(10-24)9-12(2)15(11)25-18-22-16(19)21-17(23-18)20-14-6-4-3-5-7-14/h3-10H,1-2H3,(H3,19,20,21,22,23)
InChIKeyGEAQFDGNWLJIHX-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.42
Rot. Bonds5

About 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde

4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde (PubChem CID 57003162) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde
PubChem CID57003162
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1Oc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-11-8-13(10-24)9-12(2)15(11)25-18-22-16(19)21-17(23-18)20-14-6-4-3-5-7-14/h3-10H,1-2H3,(H3,19,20,21,22,23)
InChIKeyGEAQFDGNWLJIHX-UHFFFAOYSA-N
XLogP3.42
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde (CID 57003162) is 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde is Cc1cc(C=O)cc(C)c1Oc1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde?
The InChIKey is GEAQFDGNWLJIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-8-13(10-24)9-12(2)15(11)25-18-22-16(19)21-17(23-18)20-14-6-4-3-5-7-14/h3-10H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde?
4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde has a molecular weight of 335.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)oxy]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 57003162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).