Basic information
- CAS
2417-22-3- Standard SMILES
CC1C(=O)NC(=O)NC1=O- InChIKey
GOMAEJQBTWAPAN-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784205
Overview
5-methylbarbituric acid is a member of barbiturates. It is a conjugate acid of a 5-methylbarbituride.
Names & identifiers
- Preferred name
- 5-Methylbarbituric acid
- IUPAC
- 5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl- (9CI)
- Molecular formula
- C5H6N2O3
- Molecular weight
- 142.11
Names & synonyms
2417-22-35-Methylbarbituric acid5-methylpyrimidine-2,4,6(1H,3H,5H)-trioneBarbituric acid, 5-methyl-5-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrioneVUR44R5FYXNSC-30724CHEBI:28492DTXSID10178880RefChem:1073141DTXCID701013715-methyl-1,3-diazinane-2,4,6-trione
Show more names
5-methylpyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl- (9CI)
5-Methylbarbiturate6-Hydroxythymine6-Hydroxy-5-methyluracilMFCD00233524NSC307242,4,6(1H,3H,5H)-pyrimidinetrione, 5-methyl-5-methylhexahydropyrimidine-2,4,6-trione5-methyl barbituric acid
Database identifiers
- CAS
2417-22-3- PubChem CID
- 232791
- DTXSID
DTXSID10178880- ChEBI
CHEBI:28492- UNII
- VUR44R5FYX
- Nikkaji
- J497.987G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 320 · 320-323 °C
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 1 · pK1:3.386(＋1) (25°C)
- FDA UNII
- 44 R5FYX · VUR44R5FYX
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers14 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
Related reactions
3 records
Compound notes
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