6-Amino-5(N-methylformylamino)-1-methyluracil
Showing entry for 6-Amino-5(N-methylformylamino)-1-methyluracil
Identification
- PhytoHub ID
- PHUB002540
- Name
- 6-Amino-5(N-methylformylamino)-1-methyluracil
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 198.182
- Monoisotopic Mass
- 198.075290198
- Chemical Formula
- C7H10N4O3
- IUPAC Name
- N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylformamide
- InChI Key
- QIZKPABLZVWFOE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H10N4O3/c1-10(3-12)4-5(8)11(2)7(14)9-6(4)13/h3H,8H2,1-2H3,(H,9,13,14)
- SMILES
CN(C=O)C1=C(N)N(C)C(=O)NC1=O
- Structure
Structure for 6-Amino-5(N-methylformylamino)-1-methyluracil
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 95.74000000000001
- Refractivity
- 57.2769
- Polarizability
- 18.034579898602736
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.976166792183044
- pKa (strongest acidic)
- 8.90922217321443
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Caffeine | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
| Theobromine | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
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