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

C13H13FN2O — CID 11630019

IUPAC4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQIYZIFYBNWCMIL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.70
Rot. Bonds2

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

4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 11630019) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID11630019
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQIYZIFYBNWCMIL-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one (CID 11630019) is 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is QIYZIFYBNWCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 11630019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).