Basic information
- CAS
6345-43-3- Standard SMILES
COC(=O)c1cc(C(=O)OC)ncn1- InChIKey
AJTJKDWVSIIOIR-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Dimethyl pyrimidine-4,6-dicarboxylate
- IUPAC
- dimethyl pyrimidine-4,6-dicarboxylate
- English name
- Dimethyl pyrimidine-4,6-dicarboxylate
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
dimethyl pyrimidine-4,6-dicarboxylate6345-43-34,6-DIMETHYL PYRIMIDINE-4,6-DICARBOXYLATEMFCD05864412DIMETHYL 4,6-PYRIMIDINEDICARBOXYLATENSC 44349methyl 6-(methoxycarbonyl)pyrimidine-4-carboxylateNSC443494,6-Pyrimidinedicarboxylic acid, dimethyl esterpyrimidine-4,6-dicarboxylic acid dimethyl esterSCHEMBL4000055DTXSID70286238
Show more names
4,6-PyriMidinedicarboxylic acid, 4,6-diMethyl esterDIMETHYL PYRIMIDINE-4,6-DICARBOXYLATE ISO 9001：2015 REACH
AJTJKDWVSIIOIR-UHFFFAOYSA-NNSC-44349SBB059486AKOS006344013PB12841NS-01932SY096892DB-351211
Database identifiers
- CAS
6345-43-3- PubChem CID
- 239362
- DTXSID
DTXSID70286238- EC Number
- 929-172-3
- Nikkaji
- J2.021.670K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 78 · 78-79°C
- Boiling point
- 305.7 · 305.7±22.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -3.53 · -3.53±0.17(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl 4,6-Pyrimidinedicarboxylate is a compound involved in the preparation of radiolabeled selective matrix metalloproteinase 13 (MMP-13) inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
Related reactions
1 records
Compound notes
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