[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol

C17H16FN5O — CID 155554952

IUPAC[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C17H16FN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyUGEXFBHIRUJYPX-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.36
Rot. Bonds5

About [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol

[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol (PubChem CID 155554952) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol
PubChem CID155554952
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C17H16FN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyUGEXFBHIRUJYPX-UHFFFAOYSA-N
XLogP2.36
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol 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-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol (CID 155554952) is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol is Nc1nc(NCc2ccccc2)nc(-c2ccc(F)cc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol?
The InChIKey is UGEXFBHIRUJYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol?
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol has a molecular weight of 325.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 155554952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).