1-Methyl-4(1H)-pyrimidinone
Basic information
- CAS
2228-30-0- Standard SMILES
Cn1ccc(=O)nc1- InChIKey
NWLPRJINWFMRHH-UHFFFAOYSA-N- Molecular formula
- C5H6N2O
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.04801282
Names & identifiers
- Preferred name
- 1-Methyl-4(1H)-pyrimidinone
- IUPAC
- 1-methylpyrimidin-4-one
- English name
- 1-Methyl-4(1H)-pyrimidinone
- Molecular formula
- C5H6N2O
- Molecular weight
- 0
Names & synonyms
1-methylpyrimidin-4(1H)-one2228-30-01-Methyl-4(1H)-pyrimidinone1-methylpyrimidin-4-oneNSC157912SCHEMBL887516SCHEMBL9595718NWLPRJINWFMRHH-UHFFFAOYSA-DTXSID003033411-Methyl-4(1H)-pyrimidinone #4(1H)-Pyrimidinone, 1-methyl-NWLPRJINWFMRHH-UHFFFAOYSA-N
Show more names
1-Methyl-4(1H)-pyrimidinon
NSC-157912pyrimidine, 1,4-dihydro-1-methyl-4-oxo-InChI=1/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3
Database identifiers
- CAS
2228-30-0- PubChem CID
- 292249
- DTXSID
DTXSID00303341- Nikkaji
- J148.004I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…