4-Methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
Basic information
- CAS
924834-88-8- Standard SMILES
Cc1nc(N2CCN(C)CC2)ncc1C(=O)O- InChIKey
FMHAXISXKNVJSI-UHFFFAOYSA-N- Molecular formula
- C11H16N4O2
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.12732577
Names & identifiers
- Preferred name
- 4-Methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
- IUPAC
- 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
- English name
- 4-Methyl-2-(4-methyl-piperazin-1-yl)-pyrimidine-5-carboxylic acid
- Molecular formula
- C11H16N4O2
- Molecular weight
- 236.27
Names & synonyms
924834-88-84-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid4-METHYL-2-(4-METHYL-1-PIPERAZINYL)-5-PYRIMIDINECARBOXYLIC ACIDMFCD09439071SCHEMBL32671634DTXSID60586491SBB082682STK508788AKOS002671474BS-38695CS-03168674-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylicacid
Show more names
OTAVA-BB 1086790AKOS VGYB00011174-Methyl-2-(4-methyl-piperazin-1-yl)-pyrimidine-5-carboxylic acid5-Pyrimidinecarboxylic acid, 4-methyl-2-(4-methyl-1-piperazinyl)-4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid(SALTDATA: FREE)
4-methyl-2-(4-methylpiperazinyl)pyrimidine-5-carboxylic acid
Database identifiers
- CAS
924834-88-8- PubChem CID
- 16653151
- DTXSID
DTXSID60586491
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 445.3 · 445.3±55.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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