4-Amino-2-methoxypyrimidine-5-carbonitrile
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Basic information
- CAS
6964-55-2- Standard SMILES
COc1ncc(C#N)c(N)n1- InChIKey
CXJTWQSCORECON-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 4-Amino-2-methoxypyrimidine-5-carbonitrile
- IUPAC
- 4-amino-2-methoxypyrimidine-5-carbonitrile
- English name
- 5-Pyrimidinecarbonitrile, 4-amino-2-methoxy- (6CI,8CI,9CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
4-amino-2-methoxypyrimidine-5-carbonitrileDTXSID30290114RefChem:517669DTXCID10241260867-670-16964-55-24-amino-2-methoxy-5-pyrimidinecarbonitrileMFCD000678285-Pyrimidinecarbonitrile,4-amino-2-methoxy-NSC66689NCIOpen2_000272SCHEMBL7511945
Show more names
4-AMINO-5-CYANO-2-METHOXYPYRIMIDINE5-Pyrimidinecarbonitrile, 4-amino-2-methoxy-5-Pyrimidinecarbonitrile, 4-amino-2-methoxy- (6CI,8CI,9CI)
GAA96455AR2645CCG-55927NSC-66689AKOS005084348SB56498DB-0741994-amino-2-methoxy-pyrimidine-5-carbonitrile
Database identifiers
- CAS
6964-55-2- PubChem CID
- 248964
- DTXSID
DTXSID30290114- EC Number
- 867-670-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 221 · 221-222 °C(Solv: ethanol (64-17-5))
- Boiling point
- 386.3 · 386.3±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P301+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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