3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione
Basic information
- CAS
307941-62-4- Standard SMILES
COc1ccc(N2C(=O)CC(Nc3cc(=O)[nH]c(=S)[nH]3)C2=O)cc1- InChIKey
MKAMGOGHPXHKHU-UHFFFAOYSA-N- Molecular formula
- C15H14N4O4S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.07357611
Names & identifiers
- Preferred name
- 3-((6-HO-2-Mercapto-4-pyrimidinyl)amino)-1-(4-methoxyphenyl)2,5-pyrrolidinedione
- IUPAC
- 1-(4-methoxyphenyl)-3-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]pyrrolidine-2,5-dione
Names & synonyms
307941-62-43-((6-HO-2-MERCAPTO-4-PYRIMIDINYL)AMINO)-1-(4-METHOXYPHENYL)2,5-PYRROLIDINEDIONERefChem:488742663-887-91-(4-Methoxyphenyl)-3-((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)pyrrolidine-2,5-dioneAKOS024344317
Database identifiers
- CAS
307941-62-4- PubChem CID
- 4439745
- EC Number
- 663-887-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 613
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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