Basic information
- CAS
19893-78-8- Standard SMILES
CC(=O)Nc1c(N)[nH]c(=O)n(C)c1=O- InChIKey
POQOTWQIYYNXAT-UHFFFAOYSA-N- Molecular formula
- C7H10N4O3
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.07529019
Overview
5-Acetylamino-6-amino-3-methyluracil is an aromatic amide.
Names & identifiers
- Preferred name
- 5-Acetylamino-6-amino-3-methyluracil
- IUPAC
- N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
- English name
- AAMU
- Molecular formula
- C7H10N4O3
- Molecular weight
- 198.18
Names & synonyms
19893-78-85-Acetylamino-6-amino-3-methyluraciln-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide5-AmmuR1KU8R8Z0CAcetamide, N-(4-amino-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)-DTXSID20173669RefChem:913230DTXCID8096160AAMUN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamideUNII-R1KU8R8Z0C
Show more names
Caffeine Impurity 31,3-15N2,6-AMINO-15N,98%)5-AcetylaMino-6-aMino-3-Methyluracil (AAMU)5-Acetylamino-6-amino-3-methyluracil-[13C4,15N3] (AAMU)N-(4-amino-1-methyl-2,6-dioxo-3H-pyrimidin-5-yl)acetamide"5-Acetylamino-6-Amino-3-Methyluracil 13C4, 15N2, 6-Amino-15N"5-ACETYLAMINO-6-AMINO-3-METHYLURACIL (AAMU) CP 97 (2,4,5,6-13C4.99%N-(4-Amino-2,6-dioxo-1-methyl-1,2,3,6-tetrahydropyrimidin-5-yl)acetamide
orb3141510SCHEMBL3447830CHEMBL1899490CHEBI:80473AKOS000279587SB56784TN11099NCGC00165945-01
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 305 °C · ≥305 °C
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.09 · 9.09±0.40(Predicted)
- color
- white to light pink
- Stability
- Hygroscopic
- FDA UNII
- 1 KU8R8Z0C · R1KU8R8Z0C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
Metabolite PathwaysCaffeine Metabolism
Applications
UsesN-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide is an intermediate in synthesizing 5-Acetylamino-6-formylamino-3-methyluracil (A168210), which is a metabolite of Caffeine (C080100).
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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