1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one

C13H11FN2O — CID 116901555

IUPAC1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O/c1-9(17)8-13-15-7-6-12(16-13)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyQVDADQNRKZYVOP-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one

1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one (PubChem CID 116901555) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
PubChem CID116901555
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O/c1-9(17)8-13-15-7-6-12(16-13)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyQVDADQNRKZYVOP-UHFFFAOYSA-N
XLogP2.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-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

Related Compounds

2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
5-[2-(2-oxopropyl)pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116901601
4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-2-one
CID 116901657
3-[4-(4-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901086
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
4-(4-fluorophenyl)pyrimidine-2-thiolate
CID 1474641
1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901561
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
ethyl 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfonylacetate
CID 6424782
3-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)butan-2-one
CID 157428636
methyl 3-[4-(4-methylphenyl)pyrimidin-2-yl]propanoate
CID 116901312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one (CID 116901555) is 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one is CC(=O)Cc1nccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one?
The InChIKey is QVDADQNRKZYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9(17)8-13-15-7-6-12(16-13)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one?
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one has a molecular weight of 230.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one is sourced from PubChem (CID 116901555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).