5-(1-Hydroxy-4-methylpentyl)pyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
41244-60-4- Standard SMILES
CC(C)CCC(O)c1c[nH]c(=O)[nH]c1=O- InChIKey
GBGZRZNYYASMPZ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.11609238
Names & identifiers
- Preferred name
- 5-(1-Hydroxy-4-methylpentyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-(1-hydroxy-4-methylpentyl)-1H-pyrimidine-2,4-dione
Names & synonyms
41244-60-45-(1-hydroxy-4-methylpentyl)pyrimidine-2,4(1h,3h)-dioneNSC148871DTXSID80302110NSC-148871
Database identifiers
- CAS
41244-60-4- PubChem CID
- 288138
- DTXSID
DTXSID80302110
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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