[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol

C16H13FN4O — CID 126492668

IUPAC[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2cc(-c3cnc(F)nc3)ccn2)c1
InChIInChI=1S/C16H13FN4O/c17-16-19-8-13(9-20-16)12-4-5-18-15(7-12)21-14-3-1-2-11(6-14)10-22/h1-9,22H,10H2,(H,18,21)
InChIKeyLKICUMYOTRISKR-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.91
Rot. Bonds4

About [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol

[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol (PubChem CID 126492668) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol
PubChem CID126492668
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2cc(-c3cnc(F)nc3)ccn2)c1
InChIInChI=1S/C16H13FN4O/c17-16-19-8-13(9-20-16)12-4-5-18-15(7-12)21-14-3-1-2-11(6-14)10-22/h1-9,22H,10H2,(H,18,21)
InChIKeyLKICUMYOTRISKR-UHFFFAOYSA-N
XLogP2.91
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]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 [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol?
The IUPAC name of [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol (CID 126492668) is [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol?
The canonical SMILES for [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol is OCc1cccc(Nc2cc(-c3cnc(F)nc3)ccn2)c1.
What is the InChIKey of [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol?
The InChIKey is LKICUMYOTRISKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-16-19-8-13(9-20-16)12-4-5-18-15(7-12)21-14-3-1-2-11(6-14)10-22/h1-9,22H,10H2,(H,18,21).
What are the key properties of [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol?
[3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol has a molecular weight of 296.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-fluoropyrimidin-5-yl)-2-pyridinyl]amino]phenyl]methanol is sourced from PubChem (CID 126492668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).