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

C16H12FN3O — CID 90329803

IUPAC2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol
SMILESNc1ncc(-c2ccc(-c3ccccc3O)cc2F)cn1
InChIInChI=1S/C16H12FN3O/c17-14-7-10(13-3-1-2-4-15(13)21)5-6-12(14)11-8-19-16(18)20-9-11/h1-9,21H,(H2,18,19,20)
InChIKeySMWUHAIYTCGHCS-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.24
Rot. Bonds2

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

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol (PubChem CID 90329803) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol
PubChem CID90329803
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol
SMILESNc1ncc(-c2ccc(-c3ccccc3O)cc2F)cn1
InChIInChI=1S/C16H12FN3O/c17-14-7-10(13-3-1-2-4-15(13)21)5-6-12(14)11-8-19-16(18)20-9-11/h1-9,21H,(H2,18,19,20)
InChIKeySMWUHAIYTCGHCS-UHFFFAOYSA-N
XLogP3.24
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol (CID 90329803) is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol is Nc1ncc(-c2ccc(-c3ccccc3O)cc2F)cn1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol?
The InChIKey is SMWUHAIYTCGHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-14-7-10(13-3-1-2-4-15(13)21)5-6-12(14)11-8-19-16(18)20-9-11/h1-9,21H,(H2,18,19,20).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol?
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol has a molecular weight of 281.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenol is sourced from PubChem (CID 90329803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).