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

C11H9FN2O3 — CID 122574011

IUPAC2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c1-17-8-10(15)13-9(14-11(8)16)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyDFYCSXXTEZPOCI-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.29
Rot. Bonds2

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

2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 122574011) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID122574011
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H9FN2O3/c1-17-8-10(15)13-9(14-11(8)16)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyDFYCSXXTEZPOCI-UHFFFAOYSA-N
XLogP1.29
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (CID 122574011) is 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is COc1c(O)nc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DFYCSXXTEZPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-8-10(15)13-9(14-11(8)16)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 236.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 122574011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).