Basic information
- Standard SMILES
O=C(O)c1nc(O)cc(=O)[nH]1- InChIKey
TYCRGCVWEVPXJQ-UHFFFAOYSA-N- Molecular formula
- C5H4N2O4
- Average molar mass
- 156.1 g/mol
Names & identifiers
- Preferred name
- 4,6-Dihydroxypyrimidine-2-carboxylic acid
- IUPAC
- 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylic acid
- English name
- 4,6-DihydroxypyriMidine-2-carboxylic Acid
- Molecular formula
- C5H4N2O4
- Molecular weight
- 156.1
Names & synonyms
4,6-DIHYDROXYPYRIMIDINE-2-CARBOXYLIC ACIDRefChem:508087946-861-45177-20-84-hydroxy-6-oxo-1H-pyrimidine-2-carboxylic acid4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-carboxylic acidMFCD19373733dihydroxy-carboxypyrimidineSCHEMBL944176TYCRGCVWEVPXJQ-UHFFFAOYSA-NAKOS005257842AKOS022420919
Show more names
2-Pyrimidinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-
DA-05281NS-012044,6-Dihydroxy-pyrimidine-2-carboxylic acid
Database identifiers
- CAS
5177-20-8- EC Number
- 946-861-4
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- pka
- 6.79 · 6.79±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses4,6-Dihydroxypyrimidine-2-carboxylic Acid is an analog of Orotic Acid (O691500, monohydrate) which is used in the preparation of therapeutic agents for chronic obstructive pulmonary disease (COPD) treatment.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
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Linked notes
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