1-Butyl-2-imino-10-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
Basic information
- CAS
606961-68-6- Standard SMILES
CCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
IXCNWOFPRQTJSU-UHFFFAOYSA-N- Molecular formula
- C23H24N4O3S
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.15691181
Names & identifiers
- Preferred name
- 1-Butyl-2-imino-10-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
- IUPAC
- 7-butyl-6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- English name
- SALOR-INT L421758-1EA
- Molecular formula
- C23H24N4O3S
- Molecular weight
- 436.53
Names & synonyms
606961-68-61-butyl-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one1-Butyl-2-imino-10-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-oneRefChem:431011637-893-71-Butyl-2-imino-10-methyl-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneOprea1_514044STK703643AKOS001654783SR-01000012598SR-01000012598-1Z57783460
Show more names
SALOR-INT L421758-1EA5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-butyl-1,2-dihydro-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-
1-butyl-2-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one1-butyl-2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 579.3 · 579.3±60.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.37 · 7.37±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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