4,6(1H,5H)-Pyrimidinedione, 2-amino-
Basic information
- CAS
4425-67-6- Standard SMILES
NC1=NC(=O)CC(=O)N1- InChIKey
BTYNVOQLMBUUMS-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 2-amino-
- IUPAC
- 2-amino-1H-pyrimidine-4,6-dione
- English name
- 2-aminopyrimidine-4,6-diol
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
Guanidine, malonyl-4,6(1H,5H)-Pyrimidinedione, 2-amino-2-Iminobarbituric acidNSC 2278754,6(1H,5H)-Pyrimidinedione, dihydro-2-imino-RefChem:507882AI3-52133EINECS 224-603-52-amino-1H-pyrimidine-4,6-dione2-amino-1,4,5,6-tetrahydropyrimidine-4,6-dioneNSC227875SCHEMBL2840037
Show more names
2-Amino-4,6-pyrimidinedione2-azanyl-1H-pyrimidine-4,6-dione2-amino-1H-pyrimidine-4,6-quinone2-Aminopyrimidine-4,6(1H,5H)-dione2-AMINO-4,6(1H,5H)-PYRIMIDINEDIONE4,6(1H,5H)-Pyrimidinedione, 2-amino- (9CI)2-Imino-2,3-dihydropyrimidine-4,6(1H,5H)-dione
SCHEMBL76556774,5H)-Pyrimidinedione, 2-amino-AKOS006274697NSC-2278752-amino-(1h,5h)pyrimidine-4,6-dione4,6-Pyrimidinedione, hexahydro-2-imino-AC-158554,5H)-Pyrimidinedione, dihydro-2-imino-
Database identifiers
- CAS
4425-67-6- PubChem CID
- 78146
- DTXSID
DTXSID701358259- Nikkaji
- J205.801D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 8.07 · 8.07±0.20(Predicted)
- Appearance
- White to off-white Powder
- EPA Substance Registry System
- 4 · 4,6(1H,5H)-Pyrimidinedione, 2-amino- (4425-67-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,6(1H,5H)-Pyrimidinedione, 2-amino-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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