1-[(3-fluorophenyl)methyl]pyrimidin-2-one

C11H9FN2O — CID 12678590

IUPAC1-[(3-fluorophenyl)methyl]pyrimidin-2-one
SMILESO=c1ncccn1Cc1cccc(F)c1
InChIInChI=1S/C11H9FN2O/c12-10-4-1-3-9(7-10)8-14-6-2-5-13-11(14)15/h1-7H,8H2
InChIKeyLLOOGPKRDZNOKS-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.43
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]pyrimidin-2-one

1-[(3-fluorophenyl)methyl]pyrimidin-2-one (PubChem CID 12678590) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyrimidin-2-one
PubChem CID12678590
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-[(3-fluorophenyl)methyl]pyrimidin-2-one
SMILESO=c1ncccn1Cc1cccc(F)c1
InChIInChI=1S/C11H9FN2O/c12-10-4-1-3-9(7-10)8-14-6-2-5-13-11(14)15/h1-7H,8H2
InChIKeyLLOOGPKRDZNOKS-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyrimidin-2-one (CID 12678590) is 1-[(3-fluorophenyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyrimidin-2-one is O=c1ncccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyrimidin-2-one?
The InChIKey is LLOOGPKRDZNOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-10-4-1-3-9(7-10)8-14-6-2-5-13-11(14)15/h1-7H,8H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]pyrimidin-2-one?
1-[(3-fluorophenyl)methyl]pyrimidin-2-one has a molecular weight of 204.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 12678590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).