2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H9FN2O2 — CID 58134552

IUPAC2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-6-10(15)13-9(14-11(6)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyLQKIJQPYVDXZHO-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.59
Rot. Bonds1

About 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 58134552) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID58134552
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-6-10(15)13-9(14-11(6)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyLQKIJQPYVDXZHO-UHFFFAOYSA-N
XLogP1.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 58134552) is 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LQKIJQPYVDXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-10(15)13-9(14-11(6)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 220.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 58134552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).