Basic information
- CAS
72418-39-4- Standard SMILES
CNc1ncc(C(=O)O)c(OC)n1- InChIKey
GBZGSTOPGHXQPL-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.06439116
Names & identifiers
- Preferred name
- 4-Methoxy-2-(methylamino)pyrimidine-5-carboxylic acid
- IUPAC
- 4-methoxy-2-(methylamino)pyrimidine-5-carboxylic acid
- English name
- 5-Pyrimidinecarboxylic acid, 4-methoxy-2-(methylamino)- (9CI)
- Molecular formula
- C7H9N3O3
- Molecular weight
- 183.16
Names & synonyms
72418-39-44-Methoxy-2-(methylamino)pyrimidine-5-carboxylic acidSCHEMBL10827865DTXSID00512577GBZGSTOPGHXQPL-UHFFFAOYSA-N4-Methoxy-2-(methylamino)pyrimidine-5-carboxylicacid4-METHOXY-2-(METHYLAMINO)-5-PYRIMIDINECARBOXYLIC ACID5-Pyrimidinecarboxylic acid, 4-methoxy-2-(methylamino)-5-Pyrimidinecarboxylic acid, 4-methoxy-2-(methylamino)- (9CI)
Database identifiers
- CAS
72418-39-4- PubChem CID
- 12901702
- DTXSID
DTXSID00512577
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 401.8 · 401.8±48.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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