4-Amino-2-methylpyrimidine-5-carboxylic acid
Basic information
- CAS
769-52-8- Standard SMILES
Cc1ncc(C(=O)O)c(N)n1- InChIKey
BAHPFHNUYPSRBK-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.05382648
Names & identifiers
- Preferred name
- 4-Amino-2-methylpyrimidine-5-carboxylic acid
- IUPAC
- 4-amino-2-methylpyrimidine-5-carboxylic acid
- English name
- 4-Amino-2-methyl-pyrimidine-5-carboxylic acid
- Molecular formula
- C6H7N3O2
- Molecular weight
- 153.14
Names & synonyms
4-amino-2-methylpyrimidine-5-carboxylic acidDTXSID90323159RefChem:517689DTXCID90274278832-796-8769-52-84-Amino-2-methyl-pyrimidine-5-carboxylic acidMFCD00186151NSC403213AKOS005169869NSC-403213AB04459
Show more names
RARECHEM AL BO 17174-amino-2-methylpyrimidine-5-carboxylicaci5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-4-AMINO-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID ISO 9001：2015 REACH
TS-000674-amino-2-methylpyrimidine-5-carboxylicacidCS-00839142-methyl-4-amino-5-pyrimidine carboxylic acidEN300-110523F52074F2113-0285Z1198151805
Database identifiers
- CAS
769-52-8- PubChem CID
- 345536
- DTXSID
DTXSID90323159- UNII
- Z8M94YYX98
- EC Number
- 832-796-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- HS Code
- 2933599590 · 2933599590
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Applications
Uses4-Amino-2-methyl-5-pyrimidinecarboxylic Acid is identified as a metabolite of thiamine in rat urine.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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