5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione
Basic information
- CAS
733729-40-3- Standard SMILES
Cc1cn(CCCCCCC2=NCCCN2)c(=O)[nH]c1=O- InChIKey
PMWFXURMFUSFIV-UHFFFAOYSA-N- Molecular formula
- C15H24N4O2
- Average molar mass
- 292.38 g/mol
- Monoisotopic mass
- 292.18992602
Names & identifiers
- Preferred name
- 5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione
- IUPAC
- 5-methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione
Names & synonyms
NCI60_036680CHEMBL2009222DTXSID501132429733729-40-35-Methyl-1-[6-(1,4,5,6-tetrahydro-2-pyrimidinyl)hexyl]-2,4(1H,3H)-pyrimidinedione5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
733729-40-3- PubChem CID
- 396434
- DTXSID
DTXSID501132429- ChEMBL
CHEMBL2009222- Nikkaji
- J1.365.431J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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