N2-butyl-9H-purine-2,6-diamine
Basic information
- CAS
5463-09-2- Standard SMILES
CCCCNc1nc(N)c2[nH]cnc2n1- InChIKey
BYCJYBHYAVBYGC-UHFFFAOYSA-N- Molecular formula
- C9H14N6
- Average molar mass
- 206.25 g/mol
- Monoisotopic mass
- 206.12799447
Names & identifiers
- Preferred name
- N2-butyl-9H-purine-2,6-diamine
- IUPAC
- 2-N-butyl-7H-purine-2,6-diamine
Names & synonyms
N2-butyl-9H-purine-2,6-diamine2-Butylaminoadenine5463-09-22-n-ButylaminoadenineSCHEMBL1146235SCHEMBL11462366-amino-2-butylamino-9H-purineDTXSID10392948BYCJYBHYAVBYGC-UHFFFAOYSA-NNSC15419MFCD24553067NSC-15419
Show more names
N~2~-Butyl-7H-purine-2,6-diamineSY357129
Database identifiers
- CAS
5463-09-2- PubChem CID
- 3487963
- DTXSID
DTXSID10392948
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
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Related reactions
5 records
Compound notes
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