2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol

C16H12FN3O — CID 135960793

IUPAC2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C16H12FN3O/c17-13-7-3-1-5-10(13)12-9-19-16(18)20-15(12)11-6-2-4-8-14(11)21/h1-9,21H,(H2,18,19,20)
InChIKeyPTTJKCAGPRUAEA-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.24
Rot. Bonds2

About 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol (PubChem CID 135960793) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol
PubChem CID135960793
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C16H12FN3O/c17-13-7-3-1-5-10(13)12-9-19-16(18)20-15(12)11-6-2-4-8-14(11)21/h1-9,21H,(H2,18,19,20)
InChIKeyPTTJKCAGPRUAEA-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-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol (CID 135960793) is 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol is Nc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol?
The InChIKey is PTTJKCAGPRUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-7-3-1-5-10(13)12-9-19-16(18)20-15(12)11-6-2-4-8-14(11)21/h1-9,21H,(H2,18,19,20).
What are the key properties of 2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]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-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).