6-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
Basic information
- CAS
55684-47-4- Standard SMILES
Cc1cnc(NCCCCCC(=O)O)[nH]c1=O- InChIKey
TZUWIXYODDBASQ-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.12699141
Names & identifiers
- Preferred name
- 6-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
- IUPAC
- 6-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
Names & synonyms
NSC23516055684-47-4DTXSID60310990NSC-2351606-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]hexanoic acid
Database identifiers
- CAS
55684-47-4- PubChem CID
- 314869
- DTXSID
DTXSID60310990
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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