Metabolite 5-Acetylamino-6-formylamino-3-methyluracil

Name
5-Acetylamino-6-formylamino-3-methyluracil
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 226.1894
Monoisotopic: 226.070204828
Chemical Formula
C8H10N4O4
InChI Key
RDZNZFGKEVDNPK-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)
IUPAC Name
N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
SMILES
CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O
Reactions
External Links
Human Metabolome Database
HMDB0011105
KEGG Compound
C16365
ChemSpider
97287
ChEBI
32643
Predicted Properties
PropertyValueSource
Water Solubility0.534 mg/mLALOGPS
logP-0.74ALOGPS
logP-2.4ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9.02ChemAxon
pKa (Strongest Basic)-5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area107.61 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity61.82 m3·mol-1ChemAxon
Polarizability20.46 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon