6-Amino-1-hydroxypyrimidin-2(1h)-one
Basic information
- CAS
1806-61-7- Standard SMILES
Nc1ccnc(=O)n1O- InChIKey
YSQOZBXFSNQQJT-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 6-Amino-1-hydroxypyrimidin-2(1h)-one
- IUPAC
- 6-amino-1-hydroxypyrimidin-2-one
- English name
- Cytosine, 3-oxide (7CI,8CI)
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
6-amino-1-hydroxypyrimidin-2(1h)-one1806-61-737440-38-36-amino-1-hydroxypyrimidin-2-oneCytosolfraktion2(1H)-Pyrimidinone, 6-amino-1-hydroxy-SCHEMBL2579151SCHEMBL31028521DTXSID50958547Cytosine, 3-oxide (7CI,8CI)NSC529087NSC-529087
Show more names
6-amino-1-hydroxy-pyrimidin-2-one6-azanyl-1-hydroxy-pyrimidin-2-one
DB-275655
Database identifiers
- CAS
1806-61-7、37440-38-3- PubChem CID
- 186609
- DTXSID
DTXSID50958547- Nikkaji
- J2.829.772F
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 265 · 265-275 °C
- Density
- 1.467 · 1.467±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.155 · 5.155±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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