2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol

C18H16FN3O2 — CID 90312964

IUPAC2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol
SMILESNc1ncc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1
InChIInChI=1S/C18H16FN3O2/c19-16-9-12(15-3-1-2-4-17(15)24-8-7-23)5-6-14(16)13-10-21-18(20)22-11-13/h1-6,9-11,23H,7-8H2,(H2,20,21,22)
InChIKeyHEGOLZLSVJLBOU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol

2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol (PubChem CID 90312964) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol
PubChem CID90312964
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol
SMILESNc1ncc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1
InChIInChI=1S/C18H16FN3O2/c19-16-9-12(15-3-1-2-4-17(15)24-8-7-23)5-6-14(16)13-10-21-18(20)22-11-13/h1-6,9-11,23H,7-8H2,(H2,20,21,22)
InChIKeyHEGOLZLSVJLBOU-UHFFFAOYSA-N
XLogP2.90
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol 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-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol (CID 90312964) is 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol is Nc1ncc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1.
What is the InChIKey of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol?
The InChIKey is HEGOLZLSVJLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-16-9-12(15-3-1-2-4-17(15)24-8-7-23)5-6-14(16)13-10-21-18(20)22-11-13/h1-6,9-11,23H,7-8H2,(H2,20,21,22).
What are the key properties of 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol?
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol has a molecular weight of 325.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]ethanol is sourced from PubChem (CID 90312964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).