n,7-Dimethyl-7h-purin-6-amine
Basic information
- CAS
5444-25-7- Standard SMILES
CNc1ncnc2ncn(C)c12- InChIKey
ZTMPIMWCRRABKZ-UHFFFAOYSA-N- Molecular formula
- C7H9N5
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.08579531
Names & identifiers
- Preferred name
- n,7-Dimethyl-7h-purin-6-amine
- IUPAC
- N,7-dimethylpurin-6-amine
- English name
- 7H-Purin-6-amine,N,7-dimethyl-
- Molecular formula
- C7H9N5
- Molecular weight
- 163.17986
Names & synonyms
N6,7-Dimethyladeninen,7-dimethyl-7h-purin-6-amine5444-25-7NSC-19078N,7-Dimethyl-7H-purin-6-amine; NSC 19078;NSC190787H-Purin-6-amine, N,7-dimethyl-7-Methyl-6-methylaminopurineSCHEMBL22976007H-Purin-6-amine,7-dimethyl-DTXSID30280919ADENINE, N6,7-DIMETHYL-
Show more names
3388C43DM47H-PURIN-6-AMINE,N,7-DIMETHYL-DS-009206
Database identifiers
- CAS
5444-25-7- PubChem CID
- 227478
- DTXSID
DTXSID30280919- UNII
- 3388C43DM4
- Nikkaji
- J337.273A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 300 °C · >300°C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
Chemistry & industry
Applications
UsesN6,7-Dimethyladenine is a methylated derivative of the nucleotide adenine. A useful intermediate for purine chemistry and in pyrimidine synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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