Identification

PhytoHub ID
PHUB002405
Name
5-acetylamino-6-formylamino-3-methyluracil
Systematic Name
N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Synonyms
  • 5-acetamido-6-formamido-3-methyluracil
  • AFMU
  • N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CAS Number
85438-96-6
Average Mass
226.192
Monoisotopic Mass
226.070204818
Chemical Formula
C8H10N4O4
IUPAC Name
N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
InChI Key
RDZNZFGKEVDNPK-UHFFFAOYSA-N
InChI Identifier
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)
SMILES
CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.34e-01 g/l
LogS (ALOGPS)
-2.63
LogP (ALOGPS)
-0.74
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
107.60999999999999
Refractivity
61.824000000000005
Polarizability
20.46849803981673
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.747201881980313
pKa (strongest acidic)
9.024399309758753
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
N-containing compound metabolites
Class
Alkaloid metabolites
Sub-class
Purines and pyrimidines (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
CaffeineN-containing compoundsAlkaloidsPurines and pyrimidinesShow Food Phytochemical
Cocoa purinesN-containing compoundsAlkaloidsPurines and pyrimidinesShow Food Phytochemical

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Diazines
Super-class
Organoheterocyclic compounds
Sub-class
Pyrimidines and pyrimidine derivatives
Direct Parent Name
Hydroxypyrimidines
Alternative Parent Names
["Azacyclic compounds", "Carboximidic acids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydropyrimidines", "Lactams", "Organic oxides", "Organonitrogen compounds", "Organooxygen compounds", "Organopnictogen compounds", "Propargyl-type 1,3-dipolar organic compounds", "Pyrimidones"]
External Descriptor Annotations
["formamidopyrimidine"]
Substituent Names
["Aromatic heteromonocyclic compound", "Azacycle", "Carboximidic acid", "Carboximidic acid derivative", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydropyrimidine", "Hydroxypyrimidine", "Lactam", "Organic 1,3-dipolar compound", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Propargyl-type 1,3-dipolar organic compound", "Pyrimidone"]

Spectra from Phytohub

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Inter-Individual Variations in Metabolism

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