5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one

C5H4F2N2O — CID 135473506

IUPAC5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CF)c1F
InChIInChI=1S/C5H4F2N2O/c6-1-3-4(7)5(10)9-2-8-3/h2H,1H2,(H,8,9,10)
InChIKeySDANZFALVPOFQE-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.38
Rot. Bonds1

About 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one

5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135473506) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one
PubChem CID135473506
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CF)c1F
InChIInChI=1S/C5H4F2N2O/c6-1-3-4(7)5(10)9-2-8-3/h2H,1H2,(H,8,9,10)
InChIKeySDANZFALVPOFQE-UHFFFAOYSA-N
XLogP0.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-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-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one (CID 135473506) is 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(CF)c1F.
What is the InChIKey of 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SDANZFALVPOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-1-3-4(7)5(10)9-2-8-3/h2H,1H2,(H,8,9,10).
What are the key properties of 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one?
5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 146.10 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(fluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135473506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).