4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile

C20H17FN6O — CID 2214329

IUPAC4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H17FN6O/c21-15-5-7-16(8-6-15)23-18-24-19(27-11-1-2-12-27)26-20(25-18)28-17-9-3-14(13-22)4-10-17/h3-10H,1-2,11-12H2,(H,23,24,25,26)
InChIKeyXJMVCULIZHKANG-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.02
Rot. Bonds5

About 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile

4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile (PubChem CID 2214329) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
PubChem CID2214329
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H17FN6O/c21-15-5-7-16(8-6-15)23-18-24-19(27-11-1-2-12-27)26-20(25-18)28-17-9-3-14(13-22)4-10-17/h3-10H,1-2,11-12H2,(H,23,24,25,26)
InChIKeyXJMVCULIZHKANG-UHFFFAOYSA-N
XLogP4.02
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[[4-Amino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486409
4-[[4-(2,4,6-Trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486453
4-[[4-Amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486410
4-[[4-Amino-6-(2,4,6-trifluorophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486414
4-[[4-(4-Cyanoanilino)-1,3,5-triazin-2-yl]oxy]-3,5-dimethyl-benzonitrile
CID 486455
N2-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 86574122
3-[[4-Amino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 86574123
4-(2-fluorophenoxy)-N-(4-fluorophenyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
CID 1259818
4-Methoxybenzaldehyde (4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazone
CID 9595403
N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 16194206
2-N-(4-fluorophenyl)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983481
2-N-(4-fluorophenyl)-6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983821

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The IUPAC name of 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile (CID 2214329) is 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile is N#Cc1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile?
The InChIKey is XJMVCULIZHKANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-15-5-7-16(8-6-15)23-18-24-19(27-11-1-2-12-27)26-20(25-18)28-17-9-3-14(13-22)4-10-17/h3-10H,1-2,11-12H2,(H,23,24,25,26).
What are the key properties of 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile?
4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile has a molecular weight of 376.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]benzonitrile is sourced from PubChem (CID 2214329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).