6-amino-5-(18F)fluoro-1H-pyrimidin-2-one

C4H4FN3O — CID 10396858

IUPAC6-amino-5-(18F)fluoro-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1[18F]
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/i5-1
InChIKeyXRECTZIEBJDKEO-SFIIULIVSA-N
MW128.10 g/mol
LogP-0.51
Rot. Bonds

About 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one

6-amino-5-(18F)fluoro-1H-pyrimidin-2-one (PubChem CID 10396858) has the molecular formula C4H4FN3O and a molecular weight of 128.10 g/mol. Its IUPAC name is 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(18F)fluoro-1H-pyrimidin-2-one
PubChem CID10396858
Molecular FormulaC4H4FN3O
Molecular Weight128.10 g/mol
Exact Mass128.04
IUPAC Name6-amino-5-(18F)fluoro-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1[18F]
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/i5-1
InChIKeyXRECTZIEBJDKEO-SFIIULIVSA-N
XLogP-0.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-5-(18F)fluoro-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 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one (CID 10396858) is 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1[18F].
What is the InChIKey of 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one?
The InChIKey is XRECTZIEBJDKEO-SFIIULIVSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/i5-1.
What are the key properties of 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one?
6-amino-5-(18F)fluoro-1H-pyrimidin-2-one has a molecular weight of 128.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(18F)fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 10396858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).