2-amino-5-bromo-4(3H)-pyrimidinone
Basic information
- CAS
61937-71-1- Standard SMILES
Nc1ncc(Br)c(=O)[nH]1- InChIKey
PDLZQTZTKDRRAP-UHFFFAOYSA-N- Molecular formula
- C4H4BrN3O
- Average molar mass
- 190 g/mol
- Monoisotopic mass
- 188.95377
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-amino-5-bromo-4(3H)-pyrimidinone
- IUPAC
- 2-amino-5-bromo-1H-pyrimidin-6-one
- English name
- 2-amino-5-bromo-4-pyrimidinol
- Molecular formula
- C4H4BrN3O
- Molecular weight
- 190
Names & synonyms
2-Amino-5-bromo-4(3H)-pyrimidinoneRefChem:90956861937-71-12-amino-5-bromo-4-pyrimidinol2-Amino-5-bromopyrimidin-4(3H)-one2-Amino-5-bromo-4-hydroxypyrimidine2-AMINO-5-BROMOPYRIMIDIN-4-OL2-amino-5-bromo-1H-pyrimidin-6-oneMFCD099992344(1H)-Pyrimidinone, 2-amino-5-bromo-SCHEMBL856370SCHEMBL6207922
Show more names
2-Amino-4-hydroxy-5-bromopyrimidine4(3H)-Pyrimidinone, 2-amino-5-bromo-2-DiaMino-4-hydroxy-5-broMopyriMidine2-Diamino-4-hydroxy-5-nitropyrimidine2-Amino-5-bromo-4-pyrimidinol(HBrform)2-amino-5-bromo-4-pyrimidinol ISO 9001：2015 REACH
SCHEMBL7513080DTXSID90333576PDLZQTZTKDRRAP-UHFFFAOYSA-NSBB054518AKOS005072654AKOS013465899AKOS028109043CS-W021565
Database identifiers
- CAS
61937-71-1- PubChem CID
- 512016
- DTXSID
DTXSID90333576- Nikkaji
- J1.627.338D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 284 · 284-285°
- Density
- 2.25 · 2.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.82 · 7.82±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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