2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol

C17H14FN3O — CID 719253

IUPAC2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(Nc2ccccc2F)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(20-14-8-4-3-7-13(14)18)21-17(19-11)12-6-2-5-9-15(12)22/h2-10,22H,1H3,(H,19,20,21)
InChIKeyVTJYUUAJURVKOU-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.04
Rot. Bonds3

About 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol

2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol (PubChem CID 719253) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol
PubChem CID719253
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(Nc2ccccc2F)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(20-14-8-4-3-7-13(14)18)21-17(19-11)12-6-2-5-9-15(12)22/h2-10,22H,1H3,(H,19,20,21)
InChIKeyVTJYUUAJURVKOU-UHFFFAOYSA-N
XLogP4.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol 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-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol (CID 719253) is 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol is Cc1cc(Nc2ccccc2F)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is VTJYUUAJURVKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-10-16(20-14-8-4-3-7-13(14)18)21-17(19-11)12-6-2-5-9-15(12)22/h2-10,22H,1H3,(H,19,20,21).
What are the key properties of 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol?
2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 295.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 719253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).