2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one

C6H7FN2O2 — CID 171526173

IUPAC2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-11-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeySOGSKAOJSZVIAQ-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.25
Rot. Bonds2

About 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one

2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 171526173) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID171526173
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-11-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeySOGSKAOJSZVIAQ-UHFFFAOYSA-N
XLogP0.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(fluoromethyl)-5-methoxy-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 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one (CID 171526173) is 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one is COc1cnc(CF)[nH]c1=O.
What is the InChIKey of 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SOGSKAOJSZVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-11-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one?
2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 158.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 171526173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).