4-N,6-N-dibutyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
Basic information
- CAS
6283-19-8- Standard SMILES
CCCCNc1nc(NCCCC)c2cn[nH]c2n1- InChIKey
KNMIHAAQOOVIQE-UHFFFAOYSA-N- Molecular formula
- C13H22N6
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.19059473
Names & identifiers
- Preferred name
- 4-N,6-N-dibutyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
- IUPAC
- 4-N,6-N-dibutyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
Names & synonyms
6283-19-8NSC7884DTXSID40978532NSC-7884N~4~,N~6~-Dibutyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-diimine
Database identifiers
- CAS
6283-19-8- PubChem CID
- 222265
- DTXSID
DTXSID40978532
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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