Basic information
- CAS
565193-15-9- Standard SMILES
CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O- InChIKey
DHIDSSFRXLUFLN-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- 6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione
Names & synonyms
565193-15-96-amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:540078874-891-76-Amino-1-Benzyl-5-(Ethylamino)pyrimidine-2,4(1h,3h)-Dione6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione6-Amino-1-benzyl-5-ethylamino-1H-pyrimidine-2,4-dioneBDBM93089MFCD03966870AKOS000115985SY577357CS-0349314
Show more names
EN300-02891G35360Q27463967Z55848673NWL
Database identifiers
- CAS
565193-15-9- PubChem CID
- 2392273
- EC Number
- 874-891-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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