6-Oxo-2-(propylamino)-1,6-dihydropyrimidine-5-carboxylic acid
Basic information
- CAS
85580-74-1- Standard SMILES
CCCNc1ncc(C(=O)O)c(=O)[nH]1- InChIKey
IJHIKENYQMFPDP-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Names & identifiers
- Preferred name
- 6-Oxo-2-(propylamino)-1,6-dihydropyrimidine-5-carboxylic acid
- IUPAC
- 6-oxo-2-(propylamino)-1H-pyrimidine-5-carboxylic acid
- English name
- 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-(propylamino)- (9CI)
- Molecular formula
- C8H11N3O3
- Molecular weight
- 197.19124
Names & synonyms
85580-74-16-oxo-2-(propylamino)-1,6-dihydropyrimidine-5-carboxylic acidNSC151070SCHEMBL11083328DTXSID40302459NSC-1510705-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-(propylamino)- (9CI)
Database identifiers
- CAS
85580-74-1- PubChem CID
- 289340
- DTXSID
DTXSID40302459
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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