2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid
Basic information
- CAS
392703-94-5- Standard SMILES
O=C(O)C1CCCCC1C(=O)Nc1ncccn1- InChIKey
DCQVFJIHYOTGMA-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid
- IUPAC
- 2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
- English name
- Cyclohexanecarboxylic acid, 2-[(2-pyrimidinylamino)carbonyl]- (9CI)
- Molecular formula
- C12H15N3O3
- Molecular weight
- 249.27
Names & synonyms
392703-94-52-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid2-(Pyrimidin-2-ylcarbamoyl)cyclohexanecarboxylic acidST510026752-(N-pyrimidin-2-ylcarbamoyl)cyclohexanecarboxylic acidSCHEMBL18906075DTXSID10403427AKOS0038682462-(Pyrimidin-2-ylcarbamoyl)cyclohexanecarboxylicacid2-[(PYRIMIDIN-2-YL)CARBAMOYL]CYCLOHEXANE-1-CARBOXYLIC ACIDCyclohexanecarboxylic acid, 2-[(2-pyrimidinylamino)carbonyl]-Cyclohexanecarboxylic acid, 2-[(2-pyrimidinylamino)carbonyl]- (9CI)
Database identifiers
- CAS
392703-94-5- PubChem CID
- 4451646
- DTXSID
DTXSID10403427
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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