5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Basic information
- CAS
23899-79-8- Standard SMILES
Cn1cc(N)c(=O)[nH]c1=O- InChIKey
KKKKQVZKEFWOFS-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 5-amino-1-methylpyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione,5-amino-1-methyl-
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
5-amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:532023831-548-623899-79-85-amino-1-methylpyrimidine-2,4-dione5-amino-1-methylpyrimidine-2,4(1h,3h)-dioneNSC1022705-amino-1-methyluracilNCIOpen2_0016342,4(1H,3H)-Pyrimidinedione,5-amino-1-methyl-SCHEMBL23224166SCHEMBL28861047
Show more names
DTXSID80295477YAA89979MFCD18888746AKOS013111659AT19351CCG-302523NSC-1022705-amino-1-methyl-pyrimidine-2,4-dione
Database identifiers
- CAS
23899-79-8- PubChem CID
- 265774
- DTXSID
DTXSID80295477- EC Number
- 831-548-6
- Nikkaji
- J1.335.310G
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 248 · 248-250 °C
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.69 · 9.69±0.10(Predicted)
- Appearance
- Light yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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