1-(2-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
1105197-87-2- Standard SMILES
CCSc1nc(NCC(C)C)c2cnn(CCN)c2n1- InChIKey
KDVCHLVODCPKQI-UHFFFAOYSA-N- Molecular formula
- C13H22N6S
- Average molar mass
- 294.42 g/mol
Names & identifiers
- Preferred name
- 1-(2-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-(2-aminoethyl)-6-ethylsulfanyl-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 1-(2-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- Molecular formula
- C13H22N6S
- Molecular weight
- 294.42
Names & synonyms
1105197-87-21-(2-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineC13H22N6S1-(2-aminoethyl)-6-(ethylsulfanyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(2-aminoethyl)-6-ethylsulfanyl-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amineF2135-0862SMSSF-0017420AKOS015956352CCG-300006EN300-239208F520973SR-01000910814
Show more names
SR-01000910814-11-(2-aminoethyl)-6-(ethylthio)-4-(isobutylamino)-1,2,5,7-tetraaza-1H-indene1-(2-AMINOETHYL)-6-(ETHYLTHIO)-N-ISOBUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-A+1-(2-aminoethyl)-6-ethylsulfanyl-N-isobutyl-pyrazolo[3,4-d]pyrimidin-4-amine1H-Pyrazolo[3,4-d]pyrimidine-1-ethanamine, 6-(ethylthio)-4-[(2-methylpropyl)amino]-1H-Pyrazolo[3,4-d]pyrimidine-1-ethanamine,6-(ethylthio)-4-[(2-methylpropyl)amino]-
Database identifiers
- CAS
1105197-87-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 510.2 · 510.2±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 8.23 · 8.23±0.10(Predicted)
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Compound notes
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