2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one

C13H13FN2O2 — CID 64758141

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(c1ccc(F)cc1)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-13(2,8-3-5-9(14)6-4-8)12-15-10(17)7-11(18)16-12/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyFOKGDZZYMFUFEG-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.94
Rot. Bonds2

About 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one

2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 64758141) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID64758141
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(c1ccc(F)cc1)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-13(2,8-3-5-9(14)6-4-8)12-15-10(17)7-11(18)16-12/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyFOKGDZZYMFUFEG-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one (CID 64758141) is 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one is CC(C)(c1ccc(F)cc1)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FOKGDZZYMFUFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-13(2,8-3-5-9(14)6-4-8)12-15-10(17)7-11(18)16-12/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 64758141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).