2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile

C18H16N6O — CID 8007250

IUPAC2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile
SMILESCc1ccc(Nc2nc(N)nc(COc3ccccc3C#N)n2)cc1
InChIInChI=1S/C18H16N6O/c1-12-6-8-14(9-7-12)21-18-23-16(22-17(20)24-18)11-25-15-5-3-2-4-13(15)10-19/h2-9H,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyFZCYVENKLOZGEY-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.96
Rot. Bonds5

About 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile

2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile (PubChem CID 8007250) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile
PubChem CID8007250
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile
SMILESCc1ccc(Nc2nc(N)nc(COc3ccccc3C#N)n2)cc1
InChIInChI=1S/C18H16N6O/c1-12-6-8-14(9-7-12)21-18-23-16(22-17(20)24-18)11-25-15-5-3-2-4-13(15)10-19/h2-9H,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyFZCYVENKLOZGEY-UHFFFAOYSA-N
XLogP2.96
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile 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 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile (CID 8007250) is 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile is Cc1ccc(Nc2nc(N)nc(COc3ccccc3C#N)n2)cc1.
What is the InChIKey of 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile?
The InChIKey is FZCYVENKLOZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-6-8-14(9-7-12)21-18-23-16(22-17(20)24-18)11-25-15-5-3-2-4-13(15)10-19/h2-9H,11H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile?
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile has a molecular weight of 332.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 8007250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).