Basic information
- CAS
80655-39-6- Standard SMILES
Cc1cn(CCCn2cnc3cncnc32)c(=O)[nH]c1=O- InChIKey
YPYYELYRORTPAC-UHFFFAOYSA-N- Molecular formula
- C13H14N6O2
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.11782371
Names & identifiers
- Preferred name
- 5-Methyl-1-(3-purin-9-ylpropyl)pyrimidine-2,4-dione
- IUPAC
- 5-methyl-1-(3-purin-9-ylpropyl)pyrimidine-2,4-dione
Names & synonyms
NSC37233180655-39-6DTXSID50321237NSC-3723315-Methyl-1-[3-(9H-purin-9-yl)propyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
80655-39-6- PubChem CID
- 340992
- DTXSID
DTXSID50321237
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…