2-(2-methoxyanilino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Basic information
- CAS
303792-39-4- Standard SMILES
COc1ccccc1Nc1nc2c(C)cccn2c(=O)c1C=O- InChIKey
JRBANGPVGWEJMV-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- 2-(2-methoxyanilino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
- IUPAC
- 2-(2-methoxyanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
- English name
- 2-((2-methoxyphenyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
- Molecular formula
- C17H15N3O3
- Molecular weight
- 309.32
Names & synonyms
303792-39-42-(2-methoxyanilino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde2-((2-methoxyphenyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehydeF0165-02412-[(2-methoxyphenyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehydeOprea1_428288Oprea1_694672MLS001203779SMSSF-0061840STL4116602-(2-methoxyanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehydeAKOS000534538
Show more names
4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-[(2-methoxyphenyl)amino]-9-methyl-4-oxo-
SMR000514677ST50401806AG-690/367220182-o-anisidino-8-methyl-4-oxo-1,4a-diaza-4H-naphthalene-3-carbaldehyde2-(2-Methoxy-phenylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde2-[(2-methoxyphenyl)amino]-9-methyl-4-oxo-5-hydropyridino[1,2-a]pyrimidine-3-c arbaldehyde
Database identifiers
- CAS
303792-39-4- PubChem CID
- 723065
- EC Number
- 139-446-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 468.7 · 468.7±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 0.68 · 0.68±0.70(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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