5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C18H15FN2O2 — CID 2881613

IUPAC5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)C(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C18H15FN2O2/c1-11-15(17(22)13-5-3-2-4-6-13)16(21-18(23)20-11)12-7-9-14(19)10-8-12/h2-10,16H,1H3,(H2,20,21,23)
InChIKeyVDZGURAPHGHFLH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.34
Rot. Bonds3

About 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2881613) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2881613
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)C(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C18H15FN2O2/c1-11-15(17(22)13-5-3-2-4-6-13)16(21-18(23)20-11)12-7-9-14(19)10-8-12/h2-10,16H,1H3,(H2,20,21,23)
InChIKeyVDZGURAPHGHFLH-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-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 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2881613) is 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)C(c2ccc(F)cc2)NC(=O)N1.
What is the InChIKey of 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is VDZGURAPHGHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-15(17(22)13-5-3-2-4-6-13)16(21-18(23)20-11)12-7-9-14(19)10-8-12/h2-10,16H,1H3,(H2,20,21,23).
What are the key properties of 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 310.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).