1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5334-99-6- Standard SMILES
Cn1ncc2c(N)ncnc21- InChIKey
JBMTUXVKTGBMLE-UHFFFAOYSA-N- Molecular formula
- C6H7N5
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.07014524
Names & identifiers
- Preferred name
- 1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-methylpyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl- (9CI)
- Molecular formula
- C6H7N5
- Molecular weight
- 149.15
Names & synonyms
5334-99-61-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine1H-Pyrazolo(3,4-d)pyrimidine, 4-amino-1-methyl-NSC 1399YC6YT53YT6BRN 0149930AI3-264191-Methyl-4-aminopyrazolo(3,4-d)pyrimidine4-Amino-1-methylpyrazolo(3,4-d)pyrimidineNSC-13994-Amino-1-methyl-1H-pyrazolo(3,4-d)pyrimidineUNII-YC6YT53YT6
Show more names
1-methylpyrazolo[3,4-d]pyrimidin-4-amine(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl- (9CI)
1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-methyl-1-Methyl 4-aminopyrazolo(3,4-d)pyrimidin [French]1-Methyl 4-aminopyrazolo(3,4-d)pyrimidinDTXSID802014921-Methyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine4-26-00-03541 (Beilstein Handbook Reference)1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl-
Database identifiers
- CAS
5334-99-6- PubChem CID
- 94753
- DTXSID
DTXSID80201492- ChEMBL
CHEMBL65509- UNII
- YC6YT53YT6
- EC Number
- 640-624-6
- Nikkaji
- J78.788D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 268 · 268-270°
- Boiling point
- 354.4 · 354.4±22.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- pka
- 4.2 · 4.20±0.10(Predicted)
- color
- Grey to light brown
- FDA UNII
- 6 YT53YT6 · YC6YT53YT6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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