Basic information
- CAS
13318-61-1- Standard SMILES
CCCCCc1cc(=O)[nH]c(=O)[nH]1- InChIKey
CPIVDBMTUAMXRD-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 6-Pentylpyrimidine-2,4(1h,3h)-dione
- IUPAC
- 6-pentyl-1H-pyrimidine-2,4-dione
Names & synonyms
6-pentylpyrimidine-2,4(1h,3h)-dione13318-61-16-pentyl-1H-pyrimidine-2,4-dioneNSC102027NCIOpen2_001874SCHEMBL1702031DTXSID60295450NSC211576NSC-102027NSC-211576DS-009145
Database identifiers
- CAS
13318-61-1- PubChem CID
- 265697
- DTXSID
DTXSID60295450
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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