1-Amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
Basic information
- CAS
14493-37-9- Standard SMILES
Nn1ccc(=O)[nH]c1=O- InChIKey
IILMINFWXULDNN-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 1-Amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 1-aminopyrimidine-2,4-dione
Names & synonyms
1-amino-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:429129858-760-114493-37-91-Amino-2,4(1H,3H)-pyrimidinedione1-aminopyrimidine-2,4-dioneCHEMBL47598761-Aminopyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-amino-SCHEMBL710129DTXSID60932454PAA49337
Show more names
BDBM50549811EBC-6129961-Amino-4-hydroxypyrimidin-2(1H)-oneEN300-135546
Database identifiers
- CAS
14493-37-9- PubChem CID
- 5743371
- DTXSID
DTXSID60932454- ChEMBL
CHEMBL4759876- EC Number
- 858-760-1
- Nikkaji
- J487.902C
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 186
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
Loading…