Metabolite 5-fluorocytosine

Name
5-fluorocytosine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 129.0925
Monoisotopic: 129.03383997
Chemical Formula
C4H4FN3O
InChI Key
XRECTZIEBJDKEO-UHFFFAOYSA-N
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
IUPAC Name
4-amino-5-fluoro-1,2-dihydropyrimidin-2-one
SMILES
NC1=NC(=O)NC=C1F
Reactions
Human Metabolome Database
HMDB0015231
ChemSpider
3249
ChEBI
5100
ChEMBL
CHEMBL1463
ZINC
ZINC000000896546
PharmGKB
PA449654
PDBe Ligand
1LD
Wikipedia
Flucytosine
Predicted Properties
PropertyValueSource
Water Solubility2.14 mg/mLALOGPS
logP-0.69ALOGPS
logP-1ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)8.31ChemAxon
pKa (Strongest Basic)1.78ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area67.48 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity28.15 m3·mol-1ChemAxon
Polarizability10.04 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon