1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine
Basic information
- CAS
5413-80-9- Standard SMILES
Nc1nc(N)c2cn[nH]c2n1- InChIKey
NXSAXOJMBFFHSG-UHFFFAOYSA-N- Molecular formula
- C5H6N6
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.06539422
Names & identifiers
- Preferred name
- 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine
- IUPAC
- 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
- English name
- 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine (9CI)
- Molecular formula
- C5H6N6
- Molecular weight
- 150.14
Names & synonyms
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine5413-80-91(H)-4,6-diamine-pyrazolo[3,4-d]pyrimidineMFCD018798191H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine (9CI)4,6-Diaminopyrazolo[3,4-d]pyrimidineNSC78424-d]pyriMidine-4SCHEMBL1014919SCHEMBL1014920SCHEMBL1014921SCHEMBL26187665
Show more names
(6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine (9CI) ISO 9001：2015 REACH
SCHEMBL29487078DTXSID80278508NXSAXOJMBFFHSG-UHFFFAOYSA-NNSC-7842AKOS016002031AC-23157BS-49511SY007577
Database identifiers
- CAS
5413-80-9- PubChem CID
- 222233
- DTXSID
DTXSID80278508- Nikkaji
- J2.519.871I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 291 °C · 291 °C(Solv: water (7732-18-5))
- Boiling point
- 302.1 · 302.1±52.0 °C(Predicted)
- Density
- 2.19 · 2.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 11.3 · 11.30±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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