6-(4-methylpiperazin-1-yl)-7H-purine
Basic information
- CAS
99172-01-7- Standard SMILES
CN1CCN(c2ncnc3nc[nH]c23)CC1- InChIKey
AXPCNBLIEMWMMG-UHFFFAOYSA-N- Molecular formula
- C10H14N6
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.12799447
Names & identifiers
- Preferred name
- 6-(4-methylpiperazin-1-yl)-7H-purine
- IUPAC
- 6-(4-methylpiperazin-1-yl)-7H-purine
- English name
- 6-(4-Methyl-piperazin-1-yl)-9H-purine
- Molecular formula
- C10H14N6
- Molecular weight
- 218.26
Names & synonyms
6-(4-methylpiperazin-1-yl)-7H-purine99172-01-76-(4-methylpiperazin-1-yl)-9H-purineCHEMBL5941526-(4-methylpiperazin-1-yl)-9HpurineSDCCGMLS-0065440.P001starbld0031773Oprea1_666011MLS0004191696-(4-methylpiperazinyl)purineZM287X94BNSCHEMBL13718480
Show more names
6-(4-Methyl-piperazin-1-yl)-9H-purine9H-Purine, 6-(4-methyl-1-piperazinyl)-
DTXSID201325140HMS1650E09HMS2684L19HMS5215D02BDBM50304512CCG-26902MFCD09791717NSC510935
Database identifiers
- CAS
99172-01-7- PubChem CID
- 756701
- DTXSID
DTXSID201325140- ChEMBL
CHEMBL594152- UNII
- ZM287X94BN
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 270 °C · 270 °C(Solv: acetonitrile (75-05-8))
- Boiling point
- 328.3 · 328.3±52.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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