2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C13H13FN2O2 — CID 55217209

IUPAC2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-7(2)10-12(17)15-11(16-13(10)18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyAGAAUZVPXYVWGW-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 55217209) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID55217209
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C13H13FN2O2/c1-7(2)10-12(17)15-11(16-13(10)18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyAGAAUZVPXYVWGW-UHFFFAOYSA-N
XLogP2.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 55217209) is 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(-c2cccc(F)c2)[nH]c1=O.
What is the InChIKey of 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AGAAUZVPXYVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7(2)10-12(17)15-11(16-13(10)18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 55217209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).