2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one

C11H9FN2O — CID 43654591

IUPAC2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(Cc2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)7-10-13-6-5-11(15)14-10/h1-6H,7H2,(H,13,14,15)
InChIKeyZJEPWYKCAKGGTA-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.50
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one

2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 43654591) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID43654591
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(Cc2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)7-10-13-6-5-11(15)14-10/h1-6H,7H2,(H,13,14,15)
InChIKeyZJEPWYKCAKGGTA-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one (CID 43654591) is 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one is O=c1ccnc(Cc2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is ZJEPWYKCAKGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)7-10-13-6-5-11(15)14-10/h1-6H,7H2,(H,13,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 204.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 43654591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).