Basic information
- CAS
23898-81-9- Standard SMILES
Cc1cc(C)nc(-n2[nH]c(C)cc2=O)n1- InChIKey
LQOUDVFXKBJRKL-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- 2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
Names & synonyms
23898-81-9DTXSID705094742-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-oneRefChem:251792DTXCID004602812-(4,6-dimethyl-pyrimidin-2-yl)-5-methyl-1,2-dihydro-pyrazol-3-oneCHEMBL2288280CHEMBL3145387SCHEMBL12918502AKOS015363285AKOS0159168802-(5-hydroxy-3-methyl-pyrazol-1-yl)-4,6-dimethylpyrimidine
Show more names
2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
23898-81-9- PubChem CID
- 12771908
- DTXSID
DTXSID70509474- ChEMBL
CHEMBL2288280、CHEMBL3145387- Nikkaji
- J1.605.337F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LogP1.71
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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