7-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
62637-01-8- Standard SMILES
CN(C)CCCn1cnc2c1c(=O)[nH]c(=O)n2C- InChIKey
WWDOBZVPBITZJO-UHFFFAOYSA-N- Molecular formula
- C11H17N5O2
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.1382248
Names & identifiers
- Preferred name
- 7-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 7-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione
Names & synonyms
7-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dioneAC1LDRXI62637-01-8DTXSID20350130STK678306AKOS005594902NCGC00296426-01ST051790AB01291424-01AO-082/138310257-[3-(dimethylamino)propyl]-3-methyl-1,3,7-trihydropurine-2,6-dione7-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
62637-01-8- PubChem CID
- 674083
- DTXSID
DTXSID20350130
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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