5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol

C20H23FN6O — CID 134135652

IUPAC5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESOCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H23FN6O/c21-15-9-11-17(12-10-15)24-20-26-18(22-13-5-2-6-14-28)25-19(27-20)23-16-7-3-1-4-8-16/h1,3-4,7-12,28H,2,5-6,13-14H2,(H3,22,23,24,25,26,27)
InChIKeyNAIHOFITDDRWNO-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.07
Rot. Bonds10

About 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol

5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (PubChem CID 134135652) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
PubChem CID134135652
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESOCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H23FN6O/c21-15-9-11-17(12-10-15)24-20-26-18(22-13-5-2-6-14-28)25-19(27-20)23-16-7-3-1-4-8-16/h1,3-4,7-12,28H,2,5-6,13-14H2,(H3,22,23,24,25,26,27)
InChIKeyNAIHOFITDDRWNO-UHFFFAOYSA-N
XLogP4.07
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol 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 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (CID 134135652) is 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is OCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The InChIKey is NAIHOFITDDRWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-15-9-11-17(12-10-15)24-20-26-18(22-13-5-2-6-14-28)25-19(27-20)23-16-7-3-1-4-8-16/h1,3-4,7-12,28H,2,5-6,13-14H2,(H3,22,23,24,25,26,27).
What are the key properties of 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol has a molecular weight of 382.44 g/mol, XLogP of 4.07, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 134135652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).