2-Methoxypyrimidin-4(3H)-one
Basic information
- CAS
25902-86-7- Standard SMILES
COc1nccc(=O)[nH]1- InChIKey
PDJZKZLISQIEOC-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.04292744
Names & identifiers
- Preferred name
- 2-Methoxypyrimidin-4(3H)-one
- IUPAC
- 2-methoxy-1H-pyrimidin-6-one
- English name
- 4(1H)-Pyrimidinone, 2-methoxy- (9CI)
- Molecular formula
- C5H6N2O2
- Molecular weight
- 126.11
Names & synonyms
25902-86-72-Methoxypyrimidin-4(3H)-oneDTXSID90547010RefChem:262810DTXCID004977942-Methoxypyrimidin-4-ol2-Methoxypyrimidin-4(1H)-one2-Methoxy-4(1H)-pyrimidinone2-methoxy-1H-pyrimidin-6-one4(1H)-Pyrimidinone, 2-methoxy- (9CI)2-methoxy-4(3H)-PyrimidinoneMFCD00128202
Show more names
4(3H)-Pyrimidinone, 2-methoxy-2-Methoxy-1,4-dihydropyriMidin-4-one
4-Hydroxy-2-methoxypyrimidine4(1H)-Pyrimidinone, 2-methoxy-MFCD111098322-METHOXY-1H-PYRIMIDIN-4-ONE2-methoxy-3,4-dihydropyrimidin-4-oneFluorouracil Impurity 46SCHEMBL1128388SCHEMBL2491558
Database identifiers
- CAS
25902-86-7- PubChem CID
- 13698448
- DTXSID
DTXSID90547010- EC Number
- 876-198-5
- Nikkaji
- J1.180.904I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.23 · 8.23±0.40(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
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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