5-Amino-6-methylpyrimidine-2,4-diol
Basic information
- CAS
6270-46-8- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1N- InChIKey
FNSSATCDUXTALE-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 5-Amino-6-methylpyrimidine-2,4-diol
- IUPAC
- 5-amino-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 5-Amino-2,4-dihydroxy-6-methylpyrimidine
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
5-amino-6-methylpyrimidine-2,4-diol6270-46-85-Amino-6-methyluracilMPA47W5DV55-amino-6-methyl-2,4(1H,3H)-pyrimidinedioneNSC-35527DTXSID802117782,4(1H,3H)-Pyrimidinedione, 5-amino-6-methyl-NSC 35527RefChem:198866DTXCID101342695-Amino-2,4-dihydroxy-6-methylpyrimidine
Show more names
ASINEX-REAG BAS 059538844-dihydroxy-6-MethylpyriMidine2,4(1H,3H)-Pyrimidinedione, 5-amino-6-methyl- (9CI)5-AMINO-2,4-DIHYDROXY-6-METHYLPYRIMIDINE ISO 9001：2015 REACH
5-Amino-6-methyl-pyrimidine-2,4-diol5-amino-6-methylpyrimidine-2,4(1h,3h)-dioneMFCD000535725-amino-6-methyl-1H-pyrimidine-2,4-dione5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione22715-31-7NSC35527EINECS 228-452-6
Database identifiers
- CAS
6270-46-8- PubChem CID
- 80453
- DTXSID
DTXSID80211778- ChEMBL
CHEMBL5180641- UNII
- MPA47W5DV5
- EC Number
- 228-452-6
- Nikkaji
- J211.505K
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 272 · 272-274 °C (decomp)(Solv: water (7732-18-5))
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.49 · 9.49±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- FDA UNII
- 47 W5DV5 · MPA47W5DV5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Amino-6-methylpyrimidine-2,4-diol is an antioxidant.
Suppliers
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Related reactions
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Compound notes
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