6-(3-Methylbut-2-enylamino)-3,7-dihydropurin-2-one
Basic information
- CAS
16051-65-3- Standard SMILES
CC(C)=CCNc1nc(=O)[nH]c2nc[nH]c12- InChIKey
WQWBZFBBVRDJDQ-UHFFFAOYSA-N- Molecular formula
- C10H13N5O
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.11201006
Names & identifiers
- Preferred name
- 6-(3-Methylbut-2-enylamino)-3,7-dihydropurin-2-one
- IUPAC
- 6-(3-methylbut-2-enylamino)-3,7-dihydropurin-2-one
Names & synonyms
16051-65-3AC1NE6G5DTXSID00404584NSC145073NSC-1450736-[(3-Methylbut-2-en-1-yl)amino]-3,7-dihydro-2H-purin-2-one
Database identifiers
- CAS
16051-65-3- PubChem CID
- 4587264
- DTXSID
DTXSID00404584
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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