2-[(2-Methoxyethyl)amino]-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one
Basic information
- CAS
381691-99-2- Standard SMILES
COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O- InChIKey
ZTNOZHGDRHWEIF-XFXZXTDPSA-N- Molecular formula
- C17H18N4O3S2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.0820328
Names & identifiers
- Preferred name
- 2-[(2-Methoxyethyl)amino]-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one
- IUPAC
- (5Z)-5-[[2-(2-methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L246530-1EA
- Molecular formula
- C17H18N4O3S2
- Molecular weight
- 390.48
Names & synonyms
381691-99-22-[(2-methoxyethyl)amino]-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one2-((2-METHOXYETHYL)AMINO)-9-METHYL-3-((Z)-(3-METHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONERefChem:447816650-144-9(5Z)-5-[[2-(2-methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneSTK877178AKOS000526389AB00116935-01Z57240242(Z)-5-((2-((2-methoxyethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one2-[(2-methoxyethyl)amino]-9-methyl-3-[(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Show more names
SALOR-INT L246530-1EA4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[(2-methoxyethyl)amino]-9-methyl-3-[(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 839
Physicochemical properties
- Boiling point
- 446.662 · 446.662±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.429 · 1.429±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.268 · 1.268±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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